2-[3-(4-fluorophenyl)propanoyl]-7-(4-methylpiperazin-1-yl)-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

C35H39FN6O4 — CID 149185136

About 2-[3-(4-fluorophenyl)propanoyl]-7-(4-methylpiperazin-1-yl)-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

2-[3-(4-fluorophenyl)propanoyl]-7-(4-methylpiperazin-1-yl)-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 149185136) has the molecular formula C35H39FN6O4 and a molecular weight of 626.73 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)propanoyl]-7-(4-methylpiperazin-1-yl)-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[3-(4-fluorophenyl)propanoyl]-7-(4-methylpiperazin-1-yl)-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 149185136
• Molecular Formula: C35H39FN6O4
• Molecular Weight: 626.73 g/mol
• Exact Mass: 626.30
• IUPAC Name: 2-[3-(4-fluorophenyl)propanoyl]-7-(4-methylpiperazin-1-yl)-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
• SMILES: CC(C)N1CCN(c2cc(N3CCN(C)CC3)cn3c(=O)c(OCc4ccccc4)c(C(=O)CCc4ccc(F)cc4)nc23)C1=O
• InChI: InChI=1S/C35H39FN6O4/c1-24(2)40-19-20-41(35(40)45)29-21-28(39-17-15-38(3)16-18-39)22-42-33(29)37-31(30(43)14-11-25-9-12-27(36)13-10-25)32(34(42)44)46-23-26-7-5-4-6-8-26/h4-10,12-13,21-22,24H,11,14-20,23H2,1-3H3
• InChIKey: XBSOGLWSPVAYLW-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 90.70 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	626.73
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)propanoyl]-7-(4-methylpiperazin-1-yl)-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-[3-(4-fluorophenyl)propanoyl]-7-(4-methylpiperazin-1-yl)-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (CID 149185136) is 2-[3-(4-fluorophenyl)propanoyl]-7-(4-methylpiperazin-1-yl)-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 2-[3-(4-fluorophenyl)propanoyl]-7-(4-methylpiperazin-1-yl)-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-[3-(4-fluorophenyl)propanoyl]-7-(4-methylpiperazin-1-yl)-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is CC(C)N1CCN(c2cc(N3CCN(C)CC3)cn3c(=O)c(OCc4ccccc4)c(C(=O)CCc4ccc(F)cc4)nc23)C1=O.

What is the InChIKey of 2-[3-(4-fluorophenyl)propanoyl]-7-(4-methylpiperazin-1-yl)-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?

The InChIKey is XBSOGLWSPVAYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39FN6O4/c1-24(2)40-19-20-41(35(40)45)29-21-28(39-17-15-38(3)16-18-39)22-42-33(29)37-31(30(43)14-11-25-9-12-27(36)13-10-25)32(34(42)44)46-23-26-7-5-4-6-8-26/h4-10,12-13,21-22,24H,11,14-20,23H2,1-3H3.

What are the key properties of 2-[3-(4-fluorophenyl)propanoyl]-7-(4-methylpiperazin-1-yl)-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?

2-[3-(4-fluorophenyl)propanoyl]-7-(4-methylpiperazin-1-yl)-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 626.73 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-fluorophenyl)propanoyl]-7-(4-methylpiperazin-1-yl)-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 149185136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).