3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine

C22H20ClN5 — CID 118961547

IUPAC3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine
SMILESClc1ccc(-n2c(C3CCN(c4ccncc4)CC3)nc3ccncc32)cc1
InChIInChI=1S/C22H20ClN5/c23-17-1-3-19(4-2-17)28-21-15-25-12-7-20(21)26-22(28)16-8-13-27(14-9-16)18-5-10-24-11-6-18/h1-7,10-12,15-16H,8-9,13-14H2
InChIKeyJZKBCCBKRCEZAW-UHFFFAOYSA-N
MW389.89 g/mol
LogP4.85
Rot. Bonds3

About 3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine

3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine (PubChem CID 118961547) has the molecular formula C22H20ClN5 and a molecular weight of 389.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine
PubChem CID118961547
Molecular FormulaC22H20ClN5
Molecular Weight389.89 g/mol
Exact Mass389.14
IUPAC Name3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine
SMILESClc1ccc(-n2c(C3CCN(c4ccncc4)CC3)nc3ccncc32)cc1
InChIInChI=1S/C22H20ClN5/c23-17-1-3-19(4-2-17)28-21-15-25-12-7-20(21)26-22(28)16-8-13-27(14-9-16)18-5-10-24-11-6-18/h1-7,10-12,15-16H,8-9,13-14H2
InChIKeyJZKBCCBKRCEZAW-UHFFFAOYSA-N
XLogP4.85
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine (CID 118961547) is 3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine is Clc1ccc(-n2c(C3CCN(c4ccncc4)CC3)nc3ccncc32)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine?
The InChIKey is JZKBCCBKRCEZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5/c23-17-1-3-19(4-2-17)28-21-15-25-12-7-20(21)26-22(28)16-8-13-27(14-9-16)18-5-10-24-11-6-18/h1-7,10-12,15-16H,8-9,13-14H2.
What are the key properties of 3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine?
3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine has a molecular weight of 389.89 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 118961547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).