N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide

C19H19FN4O2 — CID 53159427

IUPACN-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)C1CC1
InChIInChI=1S/C19H19FN4O2/c20-15-7-3-13(4-8-15)12-24-16-2-1-9-21-17(16)23(19(24)26)11-10-22-18(25)14-5-6-14/h1-4,7-9,14H,5-6,10-12H2,(H,22,25)
InChIKeyBICLDDVMPSAEKZ-UHFFFAOYSA-N
MW354.38 g/mol
LogP1.91
Rot. Bonds6

About N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide

N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide (PubChem CID 53159427) has the molecular formula C19H19FN4O2 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide
PubChem CID53159427
Molecular FormulaC19H19FN4O2
Molecular Weight354.38 g/mol
Exact Mass354.15
IUPAC NameN-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)C1CC1
InChIInChI=1S/C19H19FN4O2/c20-15-7-3-13(4-8-15)12-24-16-2-1-9-21-17(16)23(19(24)26)11-10-22-18(25)14-5-6-14/h1-4,7-9,14H,5-6,10-12H2,(H,22,25)
InChIKeyBICLDDVMPSAEKZ-UHFFFAOYSA-N
XLogP1.91
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide
CID 53159393
4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 71841124
4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 71841123
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide
CID 71841245
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]pyridine-2-carboxamide
CID 71841230
N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide
CID 71841173
N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide
CID 71841205
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981643
N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide
CID 71841171
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide
CID 71841253
2-(3-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
CID 71841196
N-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide
CID 113481413

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide (CID 53159427) is N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide is O=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)C1CC1.
What is the InChIKey of N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is BICLDDVMPSAEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-15-7-3-13(4-8-15)12-24-16-2-1-9-21-17(16)23(19(24)26)11-10-22-18(25)14-5-6-14/h1-4,7-9,14H,5-6,10-12H2,(H,22,25).
What are the key properties of N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide?
N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 354.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 53159427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).