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

C₁₅H₁₁N₃O₃CAS 1375541-21-1281.27 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Lactam

Properties

Molecular formula: C₁₅H₁₁N₃O₃
Molar mass: 281.27 g/mol
Exact mass: 281.0800 Da
logP: 1.16Crippen estimate
Polar surface area: 92.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1375541-21-1

SMILES

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

InChIKey

JZRARRAPRCNVSS-HNNXBMFYSA-N

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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Ubrogepant intermediate

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

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Quinolinecarboxylic acid6480-68-835 % similar 6-Quinolinecarboxylic acid10349-57-234 % similar Flunixin38677-85-933 % similar N-(3-Iodopyridin-2-yl)-2,2-dimethylpropanamide113975-31-833 % similar 6-Trifluoromethylnicotinic acid231291-22-833 % similar Niflumic acid4394-00-732 % similar [2,2′-Bipyridine]-4-carboxylic acid1748-89-632 % similar 5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Nitrazepam146-22-5

Elsewhere

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