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CAS 571188-81-3

CAS 571188-81-3

Chemistry, 1 End Use API, 46 Related Intermediates

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CAS 571188-81-3

Also known as: 571188-81-3, 6-bromo-8-cyclopentyl-5-methyl-2-(methylsulfinyl)pyrido[2,3-d]pyrimidin-7(8h)-one, 6-bromo-8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one, Schembl2074839, Ac-29013, 6-bromo-8-cyclopentyl-2-methanesulfinyl-5-methy1-8h-pyrido[2,3-d]pyrimidin-7-one

Molecular Formula

C₁₄H₁₆BrN₃O₂S

Molecular Weight

370.27 g/mol

InChI Key

NNPLOKKYGFGHNO-UHFFFAOYSA-N

1 2D Structure

CAS 571188-81-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-bromo-8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one

2.1.2 InChI

InChI=1S/C14H16BrN3O2S/c1-8-10-7-16-14(21(2)20)17-12(10)18(13(19)11(8)15)9-5-3-4-6-9/h7,9H,3-6H2,1-2H3

2.1.3 InChI Key

NNPLOKKYGFGHNO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)S(=O)C)C3CCCC3)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 571188-81-3

2. 6-bromo-8-cyclopentyl-5-methyl-2-(methylsulfinyl)pyrido[2,3-d]pyrimidin-7(8h)-one

3. 6-bromo-8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one

4. Schembl2074839

5. Ac-29013

6. 6-bromo-8-cyclopentyl-2-methanesulfinyl-5-methy1-8h-pyrido[2,3-d]pyrimidin-7-one

7. 6-bromo-8-cyclopentyl-2-methansulfinyl-5-methyl-8h-pyrido[2,3-d]pyrimidin-7-one

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₆BrN₃O₂S
Molecular Weight	370.27 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	369.01466 g/mol
Monoisotopic Mass	369.01466 g/mol
Topological Polar Surface Area	82.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	504
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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6-Bromo-8-cyclopentyl-5-methyl-2- (methylsulfinyl)pyrid...

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CAS Number

571188-81-3

End Use API

Palbociclib

About the Company

Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and ...

Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and Manufacturing APIs and Advanced Intermediates for Active Pharmaceutical Ingredients (APIs) for the global pharmaceutical companies. It provides value-added services in Contract Research, Custom Synthesis, and Specialties Scientific technology (Green Process, APIs Process Development, Polymorphism, Crystallisation and Purification) for Pharmaceutical and Life Sciences industry.

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