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

C19H15ClN4O3 — CID 170167625

IUPAC3-(3-chloroanilino)-4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2[nH]c(-c3ccncc3)c(Nc3cccc(Cl)c3)c2C1=O
InChIInChI=1S/C19H15ClN4O3/c20-12-2-1-3-13(10-12)22-17-15-14(6-9-24(18(15)25)19(26)27)23-16(17)11-4-7-21-8-5-11/h1-5,7-8,10,22-23H,6,9H2,(H,26,27)
InChIKeyFJVBJGCSIGWYGG-UHFFFAOYSA-N
MW382.81 g/mol
LogP4.15
Rot. Bonds3

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

3-(3-chloroanilino)-4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid (PubChem CID 170167625) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is 3-(3-chloroanilino)-4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloroanilino)-4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid
PubChem CID170167625
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC Name3-(3-chloroanilino)-4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2[nH]c(-c3ccncc3)c(Nc3cccc(Cl)c3)c2C1=O
InChIInChI=1S/C19H15ClN4O3/c20-12-2-1-3-13(10-12)22-17-15-14(6-9-24(18(15)25)19(26)27)23-16(17)11-4-7-21-8-5-11/h1-5,7-8,10,22-23H,6,9H2,(H,26,27)
InChIKeyFJVBJGCSIGWYGG-UHFFFAOYSA-N
XLogP4.15
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-anilino-6,6-dimethyl-2-pyrimidin-4-yl-5,7-dihydro-1H-indol-4-one;3-(3-chloroanilino)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118607222
[4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid
CID 118607107
3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
CID 122442125
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 118606753
3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one
CID 129246322
methyl 3-(3-fluoroanilino)-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxylate
CID 146516174
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]but-3-ynamide
CID 118606713
N-(3-chlorophenyl)-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442798
1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea
CID 118607242
3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one
CID 118606900
N-[4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 118607092
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide
CID 118606720

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)-4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-(3-chloroanilino)-4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid (CID 170167625) is 3-(3-chloroanilino)-4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(3-chloroanilino)-4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(3-chloroanilino)-4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid is O=C(O)N1CCc2[nH]c(-c3ccncc3)c(Nc3cccc(Cl)c3)c2C1=O.
What is the InChIKey of 3-(3-chloroanilino)-4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid?
The InChIKey is FJVBJGCSIGWYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c20-12-2-1-3-13(10-12)22-17-15-14(6-9-24(18(15)25)19(26)27)23-16(17)11-4-7-21-8-5-11/h1-5,7-8,10,22-23H,6,9H2,(H,26,27).
What are the key properties of 3-(3-chloroanilino)-4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid?
3-(3-chloroanilino)-4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid has a molecular weight of 382.81 g/mol, XLogP of 4.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroanilino)-4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 170167625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).