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

C33H36Cl2N4O2 — CID 83276231

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

[4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone (PubChem CID 83276231) has the molecular formula C33H36Cl2N4O2 and a molecular weight of 591.58 g/mol. Its IUPAC name is [4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone.

Molecular Properties

• Compound Name: [4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone
• PubChem CID: 83276231
• Molecular Formula: C33H36Cl2N4O2
• Molecular Weight: 591.58 g/mol
• Exact Mass: 590.22
• IUPAC Name: [4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone
• SMILES: COC1CCCC(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccc(Cl)cc5C)cn34)CC2)C1
• InChI: InChI=1S/C33H36Cl2N4O2/c1-22-18-27(35)11-12-29(22)25-8-13-31-36-32(23-6-9-26(34)10-7-23)30(39(31)20-25)21-37-14-16-38(17-15-37)33(40)24-4-3-5-28(19-24)41-2/h6-13,18,20,24,28H,3-5,14-17,19,21H2,1-2H3
• InChIKey: RVKZFCJKRZGJLI-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 50.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.58
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone?

The IUPAC name of [4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone (CID 83276231) is [4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone.

What is the SMILES notation for [4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone?

The canonical SMILES for [4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone is COC1CCCC(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccc(Cl)cc5C)cn34)CC2)C1.

What is the InChIKey of [4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone?

The InChIKey is RVKZFCJKRZGJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36Cl2N4O2/c1-22-18-27(35)11-12-29(22)25-8-13-31-36-32(23-6-9-26(34)10-7-23)30(39(31)20-25)21-37-14-16-38(17-15-37)33(40)24-4-3-5-28(19-24)41-2/h6-13,18,20,24,28H,3-5,14-17,19,21H2,1-2H3.

What are the key properties of [4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone?

[4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone has a molecular weight of 591.58 g/mol, XLogP of 7.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone is sourced from PubChem (CID 83276231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).