7-(dimethylamino)-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

C32H31FN6O3 — CID 58148026

About 7-(dimethylamino)-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

7-(dimethylamino)-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 58148026) has the molecular formula C32H31FN6O3 and a molecular weight of 566.64 g/mol. Its IUPAC name is 7-(dimethylamino)-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(dimethylamino)-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 58148026
• Molecular Formula: C32H31FN6O3
• Molecular Weight: 566.64 g/mol
• Exact Mass: 566.24
• IUPAC Name: 7-(dimethylamino)-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
• SMILES: CN1CCN(c2cc(N(C)C)cn3c(=O)c(OCc4ccccc4)c(C4=NC=C(Cc5ccc(F)cc5)C4)nc23)C1=O
• InChI: InChI=1S/C32H31FN6O3/c1-36(2)25-17-27(38-14-13-37(3)32(38)41)30-35-28(26-16-23(18-34-26)15-21-9-11-24(33)12-10-21)29(31(40)39(30)19-25)42-20-22-7-5-4-6-8-22/h4-12,17-19H,13-16,20H2,1-3H3
• InChIKey: VFOGVBCBFKHEHL-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 82.75 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.64
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-(dimethylamino)-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (CID 58148026) is 7-(dimethylamino)-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-(dimethylamino)-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-(dimethylamino)-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is CN1CCN(c2cc(N(C)C)cn3c(=O)c(OCc4ccccc4)c(C4=NC=C(Cc5ccc(F)cc5)C4)nc23)C1=O.

What is the InChIKey of 7-(dimethylamino)-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?

The InChIKey is VFOGVBCBFKHEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN6O3/c1-36(2)25-17-27(38-14-13-37(3)32(38)41)30-35-28(26-16-23(18-34-26)15-21-9-11-24(33)12-10-21)29(31(40)39(30)19-25)42-20-22-7-5-4-6-8-22/h4-12,17-19H,13-16,20H2,1-3H3.

What are the key properties of 7-(dimethylamino)-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?

7-(dimethylamino)-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 566.64 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(dimethylamino)-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58148026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).