[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone

C32H29ClN4O — CID 83288877

IUPAC[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)cc1
InChIInChI=1S/C32H29ClN4O/c1-23-7-9-26(10-8-23)32(38)36-19-17-35(18-20-36)22-29-31(25-11-14-28(33)15-12-25)34-30-16-13-27(21-37(29)30)24-5-3-2-4-6-24/h2-16,21H,17-20,22H2,1H3
InChIKeyRSILBHODWHDQGU-UHFFFAOYSA-N
MW521.06 g/mol
LogP6.59
Rot. Bonds5

About [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone

[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 83288877) has the molecular formula C32H29ClN4O and a molecular weight of 521.06 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID83288877
Molecular FormulaC32H29ClN4O
Molecular Weight521.06 g/mol
Exact Mass520.20
IUPAC Name[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)cc1
InChIInChI=1S/C32H29ClN4O/c1-23-7-9-26(10-8-23)32(38)36-19-17-35(18-20-36)22-29-31(25-11-14-28(33)15-12-25)34-30-16-13-27(21-37(29)30)24-5-3-2-4-6-24/h2-16,21H,17-20,22H2,1H3
InChIKeyRSILBHODWHDQGU-UHFFFAOYSA-N
XLogP6.59
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.06
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone (CID 83288877) is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)cc1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is RSILBHODWHDQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClN4O/c1-23-7-9-26(10-8-23)32(38)36-19-17-35(18-20-36)22-29-31(25-11-14-28(33)15-12-25)34-30-16-13-27(21-37(29)30)24-5-3-2-4-6-24/h2-16,21H,17-20,22H2,1H3.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 521.06 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 83288877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).