N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide

C16H12ClFN4O — CID 122686921

IUPACN-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc2nc(C3CC3)[nH]c12
InChIInChI=1S/C16H12ClFN4O/c17-11-7-9(3-4-12(11)18)20-16(23)10-5-6-19-15-13(10)21-14(22-15)8-1-2-8/h3-8H,1-2H2,(H,20,23)(H,19,21,22)
InChIKeyYEBXUIBORGBAOB-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.88
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide

N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 122686921) has the molecular formula C16H12ClFN4O and a molecular weight of 330.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID122686921
Molecular FormulaC16H12ClFN4O
Molecular Weight330.75 g/mol
Exact Mass330.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc2nc(C3CC3)[nH]c12
InChIInChI=1S/C16H12ClFN4O/c17-11-7-9(3-4-12(11)18)20-16(23)10-5-6-19-15-13(10)21-14(22-15)8-1-2-8/h3-8H,1-2H2,(H,20,23)(H,19,21,22)
InChIKeyYEBXUIBORGBAOB-UHFFFAOYSA-N
XLogP3.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(1,2-dihydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 122687472
N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 122686977
N-cyclohexyl-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 123817680
7-chloro-2-cyclopropyl-1H-imidazo[4,5-b]pyridine
CID 67210504
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 122687083
N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110859395
2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide
CID 122686717
2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080795
4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078718

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 122686921) is N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccnc2nc(C3CC3)[nH]c12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is YEBXUIBORGBAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O/c17-11-7-9(3-4-12(11)18)20-16(23)10-5-6-19-15-13(10)21-14(22-15)8-1-2-8/h3-8H,1-2H2,(H,20,23)(H,19,21,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 330.75 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 122686921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).