N-[(5-chloro-2-fluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C14H10ClFN4O — CID 76848016

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1F)c1cnc2nc[nH]c2c1
InChIInChI=1S/C14H10ClFN4O/c15-10-1-2-11(16)8(3-10)5-18-14(21)9-4-12-13(17-6-9)20-7-19-12/h1-4,6-7H,5H2,(H,18,21)(H,17,19,20)
InChIKeyUKNHFJVANSTGLY-UHFFFAOYSA-N
MW304.71 g/mol
LogP2.68
Rot. Bonds3

About N-[(5-chloro-2-fluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

N-[(5-chloro-2-fluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 76848016) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID76848016
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1F)c1cnc2nc[nH]c2c1
InChIInChI=1S/C14H10ClFN4O/c15-10-1-2-11(16)8(3-10)5-18-14(21)9-4-12-13(17-6-9)20-7-19-12/h1-4,6-7H,5H2,(H,18,21)(H,17,19,20)
InChIKeyUKNHFJVANSTGLY-UHFFFAOYSA-N
XLogP2.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110851982
N-(5-chloro-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110859642
N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 67355721
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 66464932
N-[(2-fluorophenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 110851225
6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 55043681
2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
CID 156735153
N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide
CID 63379684
N-butan-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110848509
3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651292
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233349

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 76848016) is N-[(5-chloro-2-fluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is O=C(NCc1cc(Cl)ccc1F)c1cnc2nc[nH]c2c1.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is UKNHFJVANSTGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O/c15-10-1-2-11(16)8(3-10)5-18-14(21)9-4-12-13(17-6-9)20-7-19-12/h1-4,6-7H,5H2,(H,18,21)(H,17,19,20).
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
N-[(5-chloro-2-fluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 304.71 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 76848016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).