1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one

C27H26ClFN4O — CID 5043701

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one

1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one (PubChem CID 5043701) has the molecular formula C27H26ClFN4O and a molecular weight of 476.98 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
• PubChem CID: 5043701
• Molecular Formula: C27H26ClFN4O
• Molecular Weight: 476.98 g/mol
• Exact Mass: 476.18
• IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
• SMILES: Cc1ccn2c(C(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c3cccc(F)c3)cnc2c1
• InChI: InChI=1S/C27H26ClFN4O/c1-19-8-9-33-25(18-30-26(33)14-19)24(20-4-2-6-22(29)15-20)17-27(34)32-12-10-31(11-13-32)23-7-3-5-21(28)16-23/h2-9,14-16,18,24H,10-13,17H2,1H3
• InChIKey: ZWSYZNWBYKPAKI-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 40.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.98
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one?

The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one (CID 5043701) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one.

What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one?

The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one is Cc1ccn2c(C(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c3cccc(F)c3)cnc2c1.

What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one?

The InChIKey is ZWSYZNWBYKPAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN4O/c1-19-8-9-33-25(18-30-26(33)14-19)24(20-4-2-6-22(29)15-20)17-27(34)32-12-10-31(11-13-32)23-7-3-5-21(28)16-23/h2-9,14-16,18,24H,10-13,17H2,1H3.

What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one?

1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one has a molecular weight of 476.98 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one is sourced from PubChem (CID 5043701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).