2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile

C31H25ClN6O — CID 121309770

IUPAC2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)c4ccncc4)CC3)n2c1
InChIInChI=1S/C31H25ClN6O/c32-26-8-5-22(6-9-26)30-28(21-36-15-17-37(18-16-36)31(39)23-11-13-34-14-12-23)38-20-25(7-10-29(38)35-30)27-4-2-1-3-24(27)19-33/h1-14,20H,15-18,21H2
InChIKeyQSFNIHYCIRCZGP-UHFFFAOYSA-N
MW533.04 g/mol
LogP5.55
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile

2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile (PubChem CID 121309770) has the molecular formula C31H25ClN6O and a molecular weight of 533.04 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile
PubChem CID121309770
Molecular FormulaC31H25ClN6O
Molecular Weight533.04 g/mol
Exact Mass532.18
IUPAC Name2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)c4ccncc4)CC3)n2c1
InChIInChI=1S/C31H25ClN6O/c32-26-8-5-22(6-9-26)30-28(21-36-15-17-37(18-16-36)31(39)23-11-13-34-14-12-23)38-20-25(7-10-29(38)35-30)27-4-2-1-3-24(27)19-33/h1-14,20H,15-18,21H2
InChIKeyQSFNIHYCIRCZGP-UHFFFAOYSA-N
XLogP5.55
TPSA77.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.04
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile 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-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile (CID 121309770) is 2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile is N#Cc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)c4ccncc4)CC3)n2c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile?
The InChIKey is QSFNIHYCIRCZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClN6O/c32-26-8-5-22(6-9-26)30-28(21-36-15-17-37(18-16-36)31(39)23-11-13-34-14-12-23)38-20-25(7-10-29(38)35-30)27-4-2-1-3-24(27)19-33/h1-14,20H,15-18,21H2.
What are the key properties of 2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile?
2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile has a molecular weight of 533.04 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 121309770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).