Synaptics Labs

CAS 1074365-84-6

Chemistry, 1 End Use API, 93 Related Intermediates

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Also known as: Apixaban impurity 6, 1074365-84-6, 1h-pyrazolo[3,4-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-, methyl ester, Methyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate, Apixaban acid methyl ester, Schembl15883174

Molecular Formula

C₂₆H₂₆N₄O₅

Molecular Weight

474.5 g/mol

InChI Key

IHFSYYKSFUFOTJ-UHFFFAOYSA-N

1 2D Structure

CAS 1074365-84-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate

2.1.2 InChI

InChI=1S/C26H26N4O5/c1-34-20-12-10-19(11-13-20)30-24-21(23(27-30)26(33)35-2)14-16-29(25(24)32)18-8-6-17(7-9-18)28-15-4-3-5-22(28)31/h6-13H,3-5,14-16H2,1-2H3

2.1.3 InChI Key

IHFSYYKSFUFOTJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Apixaban Impurity 6

2. 1074365-84-6

3. 1h-pyrazolo[3,4-c]pyridine-3-carboxylic Acid, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-, Methyl Ester

4. Methyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate

5. Apixaban Acid Methyl Ester

6. Schembl15883174

7. Bcp33002

8. Cs-m2736

9. F19508

10. 1-(4-methoxyphenyl)-6-[4-(2-oxopiperidino)phenyl]-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylic Acid Methyl Ester

11. 1h-pyrazolo[3,4-c]pyridine-3-carboxylic Acid,4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-,methyl Ester

12. Methyl1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylate

2.3 Create Date

2012-05-14

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₆N₄O₅
Molecular Weight	474.5 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	474.19031994 g/mol
Monoisotopic Mass	474.19031994 g/mol
Topological Polar Surface Area	94 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	793
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

545445-44-1

End Use API

Apixaban

About the Company

Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally spe...

Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally specialized in the development, production and marketing of API’s "Active Pharmaceuticals Ingredients" and its advanced Intermediates, thanks to our focus on satisfying our customers' requirements and supporting the consolidation of a robust infrastructure. The Company promoted by a team of technocrats holding a master’s degree in pharmaceuticals and who have been involved in different Pharmaceutical companies since 24years.

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