3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine

C16H11ClN4 — CID 148599563

IUPAC3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine
SMILESClc1ccc(-n2c(C3=CN=CC3)nc3ccncc32)cc1
InChIInChI=1S/C16H11ClN4/c17-12-1-3-13(4-2-12)21-15-10-19-8-6-14(15)20-16(21)11-5-7-18-9-11/h1-4,6-10H,5H2
InChIKeyNCGAUAQYPJJERI-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.89
Rot. Bonds2

About 3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine

3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine (PubChem CID 148599563) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine
PubChem CID148599563
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine
SMILESClc1ccc(-n2c(C3=CN=CC3)nc3ccncc32)cc1
InChIInChI=1S/C16H11ClN4/c17-12-1-3-13(4-2-12)21-15-10-19-8-6-14(15)20-16(21)11-5-7-18-9-11/h1-4,6-10H,5H2
InChIKeyNCGAUAQYPJJERI-UHFFFAOYSA-N
XLogP3.89
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine
CID 138566817
5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole
CID 86268997
2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole
CID 129237786
3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine
CID 118961547
amino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol
CID 135215337
N'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine
CID 138566863
2-(3-methylphenyl)-3-phenylimidazo[4,5-c]pyridine
CID 163782287
4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide
CID 68643503
3-(4-methoxyphenyl)-2-methylimidazo[4,5-c]pyridine
CID 24856151
3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine
CID 118962434
2-naphthalen-1-yl-3-phenylimidazo[4,5-c]pyridine
CID 134338004
3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine
CID 86267348

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine (CID 148599563) is 3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine is Clc1ccc(-n2c(C3=CN=CC3)nc3ccncc32)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine?
The InChIKey is NCGAUAQYPJJERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c17-12-1-3-13(4-2-12)21-15-10-19-8-6-14(15)20-16(21)11-5-7-18-9-11/h1-4,6-10H,5H2.
What are the key properties of 3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine?
3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine has a molecular weight of 294.75 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 148599563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).