2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine

C24H26ClN5 — CID 66554564

IUPAC2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine
SMILESCn1cccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCCNCC3)n2c1
InChIInChI=1S/C24H26ClN5/c1-28-13-2-4-21(28)19-7-10-23-27-24(18-5-8-20(25)9-6-18)22(30(23)16-19)17-29-14-3-11-26-12-15-29/h2,4-10,13,16,26H,3,11-12,14-15,17H2,1H3
InChIKeyOASWHXCHBYGLDL-UHFFFAOYSA-N
MW419.96 g/mol
LogP4.46
Rot. Bonds4

About 2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine

2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine (PubChem CID 66554564) has the molecular formula C24H26ClN5 and a molecular weight of 419.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine
PubChem CID66554564
Molecular FormulaC24H26ClN5
Molecular Weight419.96 g/mol
Exact Mass419.19
IUPAC Name2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine
SMILESCn1cccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCCNCC3)n2c1
InChIInChI=1S/C24H26ClN5/c1-28-13-2-4-21(28)19-7-10-23-27-24(18-5-8-20(25)9-6-18)22(30(23)16-19)17-29-14-3-11-26-12-15-29/h2,4-10,13,16,26H,3,11-12,14-15,17H2,1H3
InChIKeyOASWHXCHBYGLDL-UHFFFAOYSA-N
XLogP4.46
TPSA37.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine (CID 66554564) is 2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine is Cn1cccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCCNCC3)n2c1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine?
The InChIKey is OASWHXCHBYGLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5/c1-28-13-2-4-21(28)19-7-10-23-27-24(18-5-8-20(25)9-6-18)22(30(23)16-19)17-29-14-3-11-26-12-15-29/h2,4-10,13,16,26H,3,11-12,14-15,17H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine?
2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 419.96 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 66554564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).