2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

C29H32FN7O3S — CID 135908116

About 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 135908116) has the molecular formula C29H32FN7O3S and a molecular weight of 577.69 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 135908116
• Molecular Formula: C29H32FN7O3S
• Molecular Weight: 577.69 g/mol
• Exact Mass: 577.23
• IUPAC Name: 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: CC(C)N1CCN(c2cc(N3CCN(C)C3=O)c3nc(-c4ncc(Cc5ccc(F)cc5)s4)c(O)c(=O)n3c2)CC1
• InChI: InChI=1S/C29H32FN7O3S/c1-18(2)34-9-11-35(12-10-34)21-15-23(36-13-8-33(3)29(36)40)26-32-24(25(38)28(39)37(26)17-21)27-31-16-22(41-27)14-19-4-6-20(30)7-5-19/h4-7,15-18,38H,8-14H2,1-3H3
• InChIKey: SEIPQVGCHKOTQF-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 97.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.69
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 135908116) is 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is CC(C)N1CCN(c2cc(N3CCN(C)C3=O)c3nc(-c4ncc(Cc5ccc(F)cc5)s4)c(O)c(=O)n3c2)CC1.

What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is SEIPQVGCHKOTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN7O3S/c1-18(2)34-9-11-35(12-10-34)21-15-23(36-13-8-33(3)29(36)40)26-32-24(25(38)28(39)37(26)17-21)27-31-16-22(41-27)14-19-4-6-20(30)7-5-19/h4-7,15-18,38H,8-14H2,1-3H3.

What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 577.69 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135908116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).