5-(3-chloro-4-fluorophenyl)-1-[9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione

C34H33ClFN5O6 — CID 58148004

About 5-(3-chloro-4-fluorophenyl)-1-[9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione

5-(3-chloro-4-fluorophenyl)-1-[9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione (PubChem CID 58148004) has the molecular formula C34H33ClFN5O6 and a molecular weight of 662.12 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-1-[9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione.

Molecular Properties

• Compound Name: 5-(3-chloro-4-fluorophenyl)-1-[9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
• PubChem CID: 58148004
• Molecular Formula: C34H33ClFN5O6
• Molecular Weight: 662.12 g/mol
• Exact Mass: 661.21
• IUPAC Name: 5-(3-chloro-4-fluorophenyl)-1-[9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
• SMILES: CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(OCc4ccccc4)c(C(=O)CCC(=O)Cc4ccc(F)c(Cl)c4)nc23)C1=O
• InChI: InChI=1S/C34H33ClFN5O6/c1-38-11-12-40(34(38)45)28-19-24(39-13-15-46-16-14-39)20-41-32(28)37-30(31(33(41)44)47-21-22-5-3-2-4-6-22)29(43)10-8-25(42)17-23-7-9-27(36)26(35)18-23/h2-7,9,18-20H,8,10-17,21H2,1H3
• InChIKey: SEZQYVBGZFHCAC-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 113.76 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	662.12
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-1-[9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione?

The IUPAC name of 5-(3-chloro-4-fluorophenyl)-1-[9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione (CID 58148004) is 5-(3-chloro-4-fluorophenyl)-1-[9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione.

What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-1-[9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione?

The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-1-[9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione is CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(OCc4ccccc4)c(C(=O)CCC(=O)Cc4ccc(F)c(Cl)c4)nc23)C1=O.

What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-1-[9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione?

The InChIKey is SEZQYVBGZFHCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33ClFN5O6/c1-38-11-12-40(34(38)45)28-19-24(39-13-15-46-16-14-39)20-41-32(28)37-30(31(33(41)44)47-21-22-5-3-2-4-6-22)29(43)10-8-25(42)17-23-7-9-27(36)26(35)18-23/h2-7,9,18-20H,8,10-17,21H2,1H3.

What are the key properties of 5-(3-chloro-4-fluorophenyl)-1-[9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione?

5-(3-chloro-4-fluorophenyl)-1-[9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione has a molecular weight of 662.12 g/mol, XLogP of 4.55, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-chloro-4-fluorophenyl)-1-[9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione is sourced from PubChem (CID 58148004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).