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

C23H23FN6O5 — CID 66668074

IUPACN-[(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
SMILESO=C(NCc1ccc(F)cc1)c1nc2c(N3CCOC3=O)cc(N3CCNCC3)cn2c(=O)c1O
InChIInChI=1S/C23H23FN6O5/c24-15-3-1-14(2-4-15)12-26-21(32)18-19(31)22(33)30-13-16(28-7-5-25-6-8-28)11-17(20(30)27-18)29-9-10-35-23(29)34/h1-4,11,13,25,31H,5-10,12H2,(H,26,32)
InChIKeyTZYCDWAHDRWTJP-UHFFFAOYSA-N
MW482.47 g/mol
LogP0.84
Rot. Bonds5

About 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

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 (PubChem CID 66668074) has the molecular formula C23H23FN6O5 and a molecular weight of 482.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID66668074
Molecular FormulaC23H23FN6O5
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC NameN-[(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
SMILESO=C(NCc1ccc(F)cc1)c1nc2c(N3CCOC3=O)cc(N3CCNCC3)cn2c(=O)c1O
InChIInChI=1S/C23H23FN6O5/c24-15-3-1-14(2-4-15)12-26-21(32)18-19(31)22(33)30-13-16(28-7-5-25-6-8-28)11-17(20(30)27-18)29-9-10-35-23(29)34/h1-4,11,13,25,31H,5-10,12H2,(H,26,32)
InChIKeyTZYCDWAHDRWTJP-UHFFFAOYSA-N
XLogP0.84
TPSA128.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

9-chloro-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54729447
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
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-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54732406
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-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 57494495
N-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 89390838
3-[2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one
CID 91025152
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
methyl 7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate
CID 58148020
N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(piperazine-1-carbonyl)-1H-pyrimidine-4-carboxamide
CID 135602055
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NCc1ccc(F)cc1)c1nc2c(N3CCOC3=O)cc(N3CCNCC3)cn2c(=O)c1O.
What is the InChIKey of 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?
The InChIKey is TZYCDWAHDRWTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O5/c24-15-3-1-14(2-4-15)12-26-21(32)18-19(31)22(33)30-13-16(28-7-5-25-6-8-28)11-17(20(30)27-18)29-9-10-35-23(29)34/h1-4,11,13,25,31H,5-10,12H2,(H,26,32).
What are the key properties of 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?
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 has a molecular weight of 482.47 g/mol, XLogP of 0.84, 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-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 66668074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).