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

C33H37ClN4O2 — CID 83277101

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

[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone (PubChem CID 83277101) has the molecular formula C33H37ClN4O2 and a molecular weight of 557.14 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone.

Molecular Properties

• Compound Name: [4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone
• PubChem CID: 83277101
• Molecular Formula: C33H37ClN4O2
• Molecular Weight: 557.14 g/mol
• Exact Mass: 556.26
• IUPAC Name: [4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone
• SMILES: COC1CCCC(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5cccc(C)c5)cn34)CC2)C1
• InChI: InChI=1S/C33H37ClN4O2/c1-23-5-3-6-25(19-23)27-11-14-31-35-32(24-9-12-28(34)13-10-24)30(38(31)21-27)22-36-15-17-37(18-16-36)33(39)26-7-4-8-29(20-26)40-2/h3,5-6,9-14,19,21,26,29H,4,7-8,15-18,20,22H2,1-2H3
• InChIKey: NWXHSCPLVOTFNQ-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 50.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.14
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone (CID 83277101) is [4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone.

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

The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone is COC1CCCC(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5cccc(C)c5)cn34)CC2)C1.

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

The InChIKey is NWXHSCPLVOTFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37ClN4O2/c1-23-5-3-6-25(19-23)27-11-14-31-35-32(24-9-12-28(34)13-10-24)30(38(31)21-27)22-36-15-17-37(18-16-36)33(39)26-7-4-8-29(20-26)40-2/h3,5-6,9-14,19,21,26,29H,4,7-8,15-18,20,22H2,1-2H3.

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

[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone has a molecular weight of 557.14 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxycyclohexyl)methanone is sourced from PubChem (CID 83277101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).