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

C15H12ClFN4O2 — CID 122686977

IUPACN-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc2nc(CCO)[nH]c12
InChIInChI=1S/C15H12ClFN4O2/c16-10-7-8(1-2-11(10)17)19-15(23)9-3-5-18-14-13(9)20-12(21-14)4-6-22/h1-3,5,7,22H,4,6H2,(H,19,23)(H,18,20,21)
InChIKeyVTLSPEAIFKILEE-UHFFFAOYSA-N
MW334.74 g/mol
LogP2.54
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 122686977) has the molecular formula C15H12ClFN4O2 and a molecular weight of 334.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID122686977
Molecular FormulaC15H12ClFN4O2
Molecular Weight334.74 g/mol
Exact Mass334.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc2nc(CCO)[nH]c12
InChIInChI=1S/C15H12ClFN4O2/c16-10-7-8(1-2-11(10)17)19-15(23)9-3-5-18-14-13(9)20-12(21-14)4-6-22/h1-3,5,7,22H,4,6H2,(H,19,23)(H,18,20,21)
InChIKeyVTLSPEAIFKILEE-UHFFFAOYSA-N
XLogP2.54
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.74
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 122686921
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097673
N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 122687554
ethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate
CID 122686938
N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
CID 20866826
N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766208
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
2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582616
N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704432

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 122686977) is N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccnc2nc(CCO)[nH]c12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is VTLSPEAIFKILEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O2/c16-10-7-8(1-2-11(10)17)19-15(23)9-3-5-18-14-13(9)20-12(21-14)4-6-22/h1-3,5,7,22H,4,6H2,(H,19,23)(H,18,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 334.74 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 122686977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).