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

C25H27FN6O4 — CID 66669233

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCN1CCN(c2cc(N3CCCC3=O)c3nc(C(=O)NCc4ccc(F)cc4)c(O)c(=O)n3c2)CC1
InChIInChI=1S/C25H27FN6O4/c1-29-9-11-30(12-10-29)18-13-19(31-8-2-3-20(31)33)23-28-21(22(34)25(36)32(23)15-18)24(35)27-14-16-4-6-17(26)7-5-16/h4-7,13,15,34H,2-3,8-12,14H2,1H3,(H,27,35)
InChIKeyOYCJERLWCXXXLF-UHFFFAOYSA-N
MW494.53 g/mol
LogP1.35
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 66669233) has the molecular formula C25H27FN6O4 and a molecular weight of 494.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID66669233
Molecular FormulaC25H27FN6O4
Molecular Weight494.53 g/mol
Exact Mass494.21
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCN1CCN(c2cc(N3CCCC3=O)c3nc(C(=O)NCc4ccc(F)cc4)c(O)c(=O)n3c2)CC1
InChIInChI=1S/C25H27FN6O4/c1-29-9-11-30(12-10-29)18-13-19(31-8-2-3-20(31)33)23-28-21(22(34)25(36)32(23)15-18)24(35)27-14-16-4-6-17(26)7-5-16/h4-7,13,15,34H,2-3,8-12,14H2,1H3,(H,27,35)
InChIKeyOYCJERLWCXXXLF-UHFFFAOYSA-N
XLogP1.35
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 158459916
9-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 71595461
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 57494495
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine-2-carboxamide
CID 66668074
N-[3-(4-fluorophenyl)-2-oxopropyl]-3-methyl-7-morpholin-4-yl-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide
CID 91608275
9-chloro-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54729447
2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9-(2-oxopiperazin-1-yl)-7-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 158964968
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54732406
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 50944989
N-[(4-fluorophenyl)methyl]-3-hydroxy-9-[1-(4-methylpiperazin-1-yl)-1,2-dioxopentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 71593519
N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680789
N-[(4-fluorophenyl)methyl]-7-(3-methylmorpholin-4-yl)-9-(4-methyl-2-oxopiperazin-1-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
CID 123464185

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide (CID 66669233) is N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide is CN1CCN(c2cc(N3CCCC3=O)c3nc(C(=O)NCc4ccc(F)cc4)c(O)c(=O)n3c2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is OYCJERLWCXXXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O4/c1-29-9-11-30(12-10-29)18-13-19(31-8-2-3-20(31)33)23-28-21(22(34)25(36)32(23)15-18)24(35)27-14-16-4-6-17(26)7-5-16/h4-7,13,15,34H,2-3,8-12,14H2,1H3,(H,27,35).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 494.53 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 66669233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).