(7S)-5-oxo-1-phenyl-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

C19H15N3O3 — CID 51974956

IUPAC(7S)-5-oxo-1-phenyl-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C1C[C@@H](c2cccnc2)c2c(c(C(=O)O)cn2-c2ccccc2)N1
InChIInChI=1S/C19H15N3O3/c23-16-9-14(12-5-4-8-20-10-12)18-17(21-16)15(19(24)25)11-22(18)13-6-2-1-3-7-13/h1-8,10-11,14H,9H2,(H,21,23)(H,24,25)/t14-/m0/s1
InChIKeyYYYTVANVCLRRKW-AWEZNQCLSA-N
MW333.35 g/mol
LogP3.04
Rot. Bonds3

About (7S)-5-oxo-1-phenyl-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

(7S)-5-oxo-1-phenyl-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (PubChem CID 51974956) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is (7S)-5-oxo-1-phenyl-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name(7S)-5-oxo-1-phenyl-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
PubChem CID51974956
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name(7S)-5-oxo-1-phenyl-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C1C[C@@H](c2cccnc2)c2c(c(C(=O)O)cn2-c2ccccc2)N1
InChIInChI=1S/C19H15N3O3/c23-16-9-14(12-5-4-8-20-10-12)18-17(21-16)15(19(24)25)11-22(18)13-6-2-1-3-7-13/h1-8,10-11,14H,9H2,(H,21,23)(H,24,25)/t14-/m0/s1
InChIKeyYYYTVANVCLRRKW-AWEZNQCLSA-N
XLogP3.04
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7S)-5-oxo-1-phenyl-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid with MolForge

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Related Compounds

1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51054423
(7S)-7-(4-methoxyphenyl)-5-oxo-1-phenyl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51974988
(7R)-1,7-bis(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 95166494
(7S)-1-(3-fluorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51688835
(7R)-7-(4-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51971920
(7S)-1,7-bis(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51974695
(7S)-1-(3-chlorophenyl)-7-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51688869
(7S)-5-oxo-1-phenyl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51974910
1-(2-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 52996332
(7R)-1-(4-methoxyphenyl)-5-oxo-7-thiophen-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51971529
(7S)-7-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51971965
(7R)-7-(4-methoxycarbonylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 95166518

Frequently Asked Questions

What is the IUPAC name of (7S)-5-oxo-1-phenyl-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of (7S)-5-oxo-1-phenyl-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (CID 51974956) is (7S)-5-oxo-1-phenyl-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for (7S)-5-oxo-1-phenyl-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for (7S)-5-oxo-1-phenyl-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is O=C1C[C@@H](c2cccnc2)c2c(c(C(=O)O)cn2-c2ccccc2)N1.
What is the InChIKey of (7S)-5-oxo-1-phenyl-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is YYYTVANVCLRRKW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-16-9-14(12-5-4-8-20-10-12)18-17(21-16)15(19(24)25)11-22(18)13-6-2-1-3-7-13/h1-8,10-11,14H,9H2,(H,21,23)(H,24,25)/t14-/m0/s1.
What are the key properties of (7S)-5-oxo-1-phenyl-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
(7S)-5-oxo-1-phenyl-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 333.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-oxo-1-phenyl-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 51974956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).