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

C15H12ClFN4O3 — CID 122687472

IUPACN-(3-chloro-4-fluorophenyl)-2-(1,2-dihydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc2nc(C(O)CO)[nH]c12
InChIInChI=1S/C15H12ClFN4O3/c16-9-5-7(1-2-10(9)17)19-15(24)8-3-4-18-14-12(8)20-13(21-14)11(23)6-22/h1-5,11,22-23H,6H2,(H,19,24)(H,18,20,21)
InChIKeyCAFMTQRWEVRXFI-UHFFFAOYSA-N
MW350.74 g/mol
LogP2.03
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-2-(1,2-dihydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 122687472) has the molecular formula C15H12ClFN4O3 and a molecular weight of 350.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(1,2-dihydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(1,2-dihydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID122687472
Molecular FormulaC15H12ClFN4O3
Molecular Weight350.74 g/mol
Exact Mass350.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(1,2-dihydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc2nc(C(O)CO)[nH]c12
InChIInChI=1S/C15H12ClFN4O3/c16-9-5-7(1-2-10(9)17)19-15(24)8-3-4-18-14-12(8)20-13(21-14)11(23)6-22/h1-5,11,22-23H,6H2,(H,19,24)(H,18,20,21)
InChIKeyCAFMTQRWEVRXFI-UHFFFAOYSA-N
XLogP2.03
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.74
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 122686977
N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 122686921
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
CID 20866826
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704493
N-(3-bromo-4-fluorophenyl)-2-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 122687554
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 122687083
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38898502
N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110859395

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(1,2-dihydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(1,2-dihydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 122687472) is N-(3-chloro-4-fluorophenyl)-2-(1,2-dihydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(1,2-dihydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(1,2-dihydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccnc2nc(C(O)CO)[nH]c12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(1,2-dihydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is CAFMTQRWEVRXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O3/c16-9-5-7(1-2-10(9)17)19-15(24)8-3-4-18-14-12(8)20-13(21-14)11(23)6-22/h1-5,11,22-23H,6H2,(H,19,24)(H,18,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(1,2-dihydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(1,2-dihydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 350.74 g/mol, XLogP of 2.03, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(1,2-dihydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 122687472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).