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

C25H27FN6O5 — CID 66668103

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

N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 66668103) has the molecular formula C25H27FN6O5 and a molecular weight of 510.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
• PubChem CID: 66668103
• Molecular Formula: C25H27FN6O5
• Molecular Weight: 510.53 g/mol
• Exact Mass: 510.20
• IUPAC Name: N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
• SMILES: CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(O)c(C(=O)NCc4ccc(F)cc4)nc23)C(=O)C1
• InChI: InChI=1S/C25H27FN6O5/c1-29-6-7-31(20(33)15-29)19-12-18(30-8-10-37-11-9-30)14-32-23(19)28-21(22(34)25(32)36)24(35)27-13-16-2-4-17(26)5-3-16/h2-5,12,14,34H,6-11,13,15H2,1H3,(H,27,35)
• InChIKey: SUAMOIQIOBQYBN-UHFFFAOYSA-N
• XLogP: 0.58
• TPSA: 119.72 Ų
• H-Bond Donors: 2
• 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	0.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 66668103) is N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(O)c(C(=O)NCc4ccc(F)cc4)nc23)C(=O)C1.

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

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

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

N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 510.53 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 66668103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).