N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(3-methylmorpholin-4-yl)-4-oxo-9-(2-oxopiperazin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide

C25H27FN6O5 — CID 66668101

About N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(3-methylmorpholin-4-yl)-4-oxo-9-(2-oxopiperazin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(3-methylmorpholin-4-yl)-4-oxo-9-(2-oxopiperazin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 66668101) has the molecular formula C25H27FN6O5 and a molecular weight of 510.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(3-methylmorpholin-4-yl)-4-oxo-9-(2-oxopiperazin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(3-methylmorpholin-4-yl)-4-oxo-9-(2-oxopiperazin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide
• PubChem CID: 66668101
• Molecular Formula: C25H27FN6O5
• Molecular Weight: 510.53 g/mol
• Exact Mass: 510.20
• IUPAC Name: N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(3-methylmorpholin-4-yl)-4-oxo-9-(2-oxopiperazin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide
• SMILES: CC1COCCN1c1cc(N2CCNCC2=O)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2c1
• InChI: InChI=1S/C25H27FN6O5/c1-15-14-37-9-8-30(15)18-10-19(31-7-6-27-12-20(31)33)23-29-21(22(34)25(36)32(23)13-18)24(35)28-11-16-2-4-17(26)5-3-16/h2-5,10,13,15,27,34H,6-9,11-12,14H2,1H3,(H,28,35)
• InChIKey: XSJATTQFAOYREN-UHFFFAOYSA-N
• XLogP: 0.63
• TPSA: 128.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.53
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(3-methylmorpholin-4-yl)-4-oxo-9-(2-oxopiperazin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(3-methylmorpholin-4-yl)-4-oxo-9-(2-oxopiperazin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide (CID 66668101) is N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(3-methylmorpholin-4-yl)-4-oxo-9-(2-oxopiperazin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(3-methylmorpholin-4-yl)-4-oxo-9-(2-oxopiperazin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(3-methylmorpholin-4-yl)-4-oxo-9-(2-oxopiperazin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide is CC1COCCN1c1cc(N2CCNCC2=O)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2c1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(3-methylmorpholin-4-yl)-4-oxo-9-(2-oxopiperazin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide?

The InChIKey is XSJATTQFAOYREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O5/c1-15-14-37-9-8-30(15)18-10-19(31-7-6-27-12-20(31)33)23-29-21(22(34)25(36)32(23)13-18)24(35)28-11-16-2-4-17(26)5-3-16/h2-5,10,13,15,27,34H,6-9,11-12,14H2,1H3,(H,28,35).

What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(3-methylmorpholin-4-yl)-4-oxo-9-(2-oxopiperazin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide?

N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(3-methylmorpholin-4-yl)-4-oxo-9-(2-oxopiperazin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 510.53 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(3-methylmorpholin-4-yl)-4-oxo-9-(2-oxopiperazin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 66668101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).