2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide

C19H17ClN6O — CID 24786115

IUPAC2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccnc2nc(-c3ccc(Cl)cc3)[nH]c12
InChIInChI=1S/C19H17ClN6O/c20-14-4-2-13(3-5-14)17-24-16-15(6-8-22-18(16)25-17)19(27)23-7-1-10-26-11-9-21-12-26/h2-6,8-9,11-12H,1,7,10H2,(H,23,27)(H,22,24,25)
InChIKeyUGWYTWIGUHGKLI-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.29
Rot. Bonds6

About 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide

2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 24786115) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID24786115
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC Name2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccnc2nc(-c3ccc(Cl)cc3)[nH]c12
InChIInChI=1S/C19H17ClN6O/c20-14-4-2-13(3-5-14)17-24-16-15(6-8-22-18(16)25-17)19(27)23-7-1-10-26-11-9-21-12-26/h2-6,8-9,11-12H,1,7,10H2,(H,23,27)(H,22,24,25)
InChIKeyUGWYTWIGUHGKLI-UHFFFAOYSA-N
XLogP3.29
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 90687573
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384706
N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide
CID 22139224
2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
CID 106686683
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 61229321
N-[2-(4-hydroxy-2-oxo-1-pyridinyl)ethyl]-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 143508177
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
2-chloro-N-(3-imidazol-1-ylpropyl)-5-[[(2S)-3-methylbutan-2-yl]amino]benzamide
CID 95981751
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 24786115) is 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is O=C(NCCCn1ccnc1)c1ccnc2nc(-c3ccc(Cl)cc3)[nH]c12.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is UGWYTWIGUHGKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c20-14-4-2-13(3-5-14)17-24-16-15(6-8-22-18(16)25-17)19(27)23-7-1-10-26-11-9-21-12-26/h2-6,8-9,11-12H,1,7,10H2,(H,23,27)(H,22,24,25).
What are the key properties of 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 24786115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).