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

C34H32F2N6O4 — CID 58148073

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

2-[4-[(3,4-difluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 58148073) has the molecular formula C34H32F2N6O4 and a molecular weight of 626.66 g/mol. Its IUPAC name is 2-[4-[(3,4-difluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[4-[(3,4-difluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 58148073
• Molecular Formula: C34H32F2N6O4
• Molecular Weight: 626.66 g/mol
• Exact Mass: 626.25
• IUPAC Name: 2-[4-[(3,4-difluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
• SMILES: CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(OCc4ccccc4)c(C4=NC=C(Cc5ccc(F)c(F)c5)C4)nc23)C1=O
• InChI: InChI=1S/C34H32F2N6O4/c1-39-9-10-41(34(39)44)29-18-25(40-11-13-45-14-12-40)20-42-32(29)38-30(31(33(42)43)46-21-22-5-3-2-4-6-22)28-17-24(19-37-28)15-23-7-8-26(35)27(36)16-23/h2-8,16,18-20H,9-15,17,21H2,1H3
• InChIKey: OWGFWOZBSVGEET-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 91.98 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	626.66
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[4-[(3,4-difluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (CID 58148073) is 2-[4-[(3,4-difluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.

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

The canonical SMILES for 2-[4-[(3,4-difluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(OCc4ccccc4)c(C4=NC=C(Cc5ccc(F)c(F)c5)C4)nc23)C1=O.

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

The InChIKey is OWGFWOZBSVGEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F2N6O4/c1-39-9-10-41(34(39)44)29-18-25(40-11-13-45-14-12-40)20-42-32(29)38-30(31(33(42)43)46-21-22-5-3-2-4-6-22)28-17-24(19-37-28)15-23-7-8-26(35)27(36)16-23/h2-8,16,18-20H,9-15,17,21H2,1H3.

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

2-[4-[(3,4-difluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 626.66 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3,4-difluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58148073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).