1-(3-amino-3-oxopropyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid

C17H15FN4O4 — CID 50965570

IUPAC1-(3-amino-3-oxopropyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid
SMILESNC(=O)CCn1c(=O)n(Cc2ccc(F)cc2)c2ncc(C(=O)O)cc21
InChIInChI=1S/C17H15FN4O4/c18-12-3-1-10(2-4-12)9-22-15-13(7-11(8-20-15)16(24)25)21(17(22)26)6-5-14(19)23/h1-4,7-8H,5-6,9H2,(H2,19,23)(H,24,25)
InChIKeyZMQKBSRSFCLPGF-UHFFFAOYSA-N
MW358.33 g/mol
LogP0.96
Rot. Bonds6

About 1-(3-amino-3-oxopropyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid

1-(3-amino-3-oxopropyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 50965570) has the molecular formula C17H15FN4O4 and a molecular weight of 358.33 g/mol. Its IUPAC name is 1-(3-amino-3-oxopropyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-3-oxopropyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID50965570
Molecular FormulaC17H15FN4O4
Molecular Weight358.33 g/mol
Exact Mass358.11
IUPAC Name1-(3-amino-3-oxopropyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid
SMILESNC(=O)CCn1c(=O)n(Cc2ccc(F)cc2)c2ncc(C(=O)O)cc21
InChIInChI=1S/C17H15FN4O4/c18-12-3-1-10(2-4-12)9-22-15-13(7-11(8-20-15)16(24)25)21(17(22)26)6-5-14(19)23/h1-4,7-8H,5-6,9H2,(H2,19,23)(H,24,25)
InChIKeyZMQKBSRSFCLPGF-UHFFFAOYSA-N
XLogP0.96
TPSA120.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 71841124
2-chloro-7-[(4-fluorophenyl)methyl]-9-methylpurin-8-one
CID 172635974
1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one
CID 18780682
4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 71841123
N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide
CID 129248502
6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 46313827
4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide
CID 70256660
3-[(3-fluorophenyl)methyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82769095
N-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
CID 11667996
2-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 10644374
5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186734
1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-oxopropyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-(3-amino-3-oxopropyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid (CID 50965570) is 1-(3-amino-3-oxopropyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-(3-amino-3-oxopropyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-(3-amino-3-oxopropyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid is NC(=O)CCn1c(=O)n(Cc2ccc(F)cc2)c2ncc(C(=O)O)cc21.
What is the InChIKey of 1-(3-amino-3-oxopropyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is ZMQKBSRSFCLPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4/c18-12-3-1-10(2-4-12)9-22-15-13(7-11(8-20-15)16(24)25)21(17(22)26)6-5-14(19)23/h1-4,7-8H,5-6,9H2,(H2,19,23)(H,24,25).
What are the key properties of 1-(3-amino-3-oxopropyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid?
1-(3-amino-3-oxopropyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 358.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-oxopropyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 50965570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).