Porton Pharma Solutions

(S)-2'-Oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid

Chemistry, 1 End Use API, 11 Related Intermediates

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Also known as: 1375541-21-1, (6s)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid, Schembl3694253, Sb15099, Cs-0042466, (6s)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo [2,3-b]pyridine]-3-carboxylic acid

Molecular Formula

C₁₅H₁₁N₃O₃

Molecular Weight

281.27 g/mol

InChI Key

JZRARRAPRCNVSS-HNNXBMFYSA-N

1 2D Structure

(S)-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid

2.1.2 InChI

InChI=1S/C15H11N3O3/c19-13(20)9-4-8-5-15(6-11(8)17-7-9)10-2-1-3-16-12(10)18-14(15)21/h1-4,7H,5-6H2,(H,19,20)(H,16,18,21)/t15-/m0/s1

2.1.3 InChI Key

JZRARRAPRCNVSS-HNNXBMFYSA-N

2.1.4 Canonical SMILES

C1C2=C(CC13C4=C(NC3=O)N=CC=C4)N=CC(=C2)C(=O)O

2.1.5 Isomeric SMILES

C1C2=C(C[C@]13C4=C(NC3=O)N=CC=C4)N=CC(=C2)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1375541-21-1

2. (6s)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic Acid

3. Schembl3694253

4. Sb15099

5. Cs-0042466

6. (6s)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo [2,3-b]pyridine]-3-carboxylic Acid

7. (6s)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylicacid

8. Spiro[6h-yclopenta[b]yridine-6,3'-3h]yrrolo[2,3-]yridine]-3-arboxylic Acid, 1',2',5,7-etrahydro-2'-xo-, (3's)-

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₁N₃O₃
Molecular Weight	281.27 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	92.2
Heavy Atom Count	21
Formal Charge	0
Complexity	483
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2- trifluoroe...

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CAS Number

1456803-37-4

End Use API

Ubrogepant

About the Company

Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzh...

Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzhen Stock Exchange in 2014. Our R&D, manufacturing & operation facilities are located in China, Slovenia, the US, Belgium, Switzerland, Denmark, with more than 6000 employees worldwide. Porton leads the way with its excellent CDMO services, but also supplies APIs & intermediates for the treatment of critical diseases such as HIV/AIDS, diabetes, cancer, & influenza. Our Process Technology Centers & WHO/USFDA/EMA/PDMA/NMPA-inspected Facilities feature state-of-the-art equipment, highly flexible cGMP-compliant production assets.

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