5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid

C19H19N3O4 — CID 90429399

IUPAC5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(n3ccc4cccnc43)CCCC2)cc(O)c1=O
InChIInChI=1S/C19H19N3O4/c23-15-11-21(10-14(16(15)24)18(25)26)12-19(6-1-2-7-19)22-9-5-13-4-3-8-20-17(13)22/h3-5,8-11,23H,1-2,6-7,12H2,(H,25,26)
InChIKeyOTPKNUJKFUZRDR-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.57
Rot. Bonds4

About 5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid

5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid (PubChem CID 90429399) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
PubChem CID90429399
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(n3ccc4cccnc43)CCCC2)cc(O)c1=O
InChIInChI=1S/C19H19N3O4/c23-15-11-21(10-14(16(15)24)18(25)26)12-19(6-1-2-7-19)22-9-5-13-4-3-8-20-17(13)22/h3-5,8-11,23H,1-2,6-7,12H2,(H,25,26)
InChIKeyOTPKNUJKFUZRDR-UHFFFAOYSA-N
XLogP2.57
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridazine-3-carboxylic acid
CID 123399268
5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid
CID 58067628
5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid
CID 58067521
1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea
CID 67792036
5-hydroxy-4-oxo-1-[(2-phenyl-1,3-dihydroinden-2-yl)methyl]pyridine-3-carboxylic acid
CID 58067801
3-[(tert-butylamino)methyl]-1-[[1-(3-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-5-hydroxypyridazin-4-one
CID 123345805
4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid
CID 70010982
9-butoxy-2-(oxetan-3-yl)-6-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90275022
4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid
CID 70598090
4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid
CID 23636390
4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 10934616
5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide
CID 144807883

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid (CID 90429399) is 5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid is O=C(O)c1cn(CC2(n3ccc4cccnc43)CCCC2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid?
The InChIKey is OTPKNUJKFUZRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-15-11-21(10-14(16(15)24)18(25)26)12-19(6-1-2-7-19)22-9-5-13-4-3-8-20-17(13)22/h3-5,8-11,23H,1-2,6-7,12H2,(H,25,26).
What are the key properties of 5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid?
5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid has a molecular weight of 353.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 90429399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).