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

C26H24FN5O4S — CID 91025152

IUPAC3-[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
SMILESCc1c(-c2ncc(Cc3ccc(F)cc3)s2)nc2c(N3CCOC3=O)cc(N3CCOCC3)cn2c1=O
InChIInChI=1S/C26H24FN5O4S/c1-16-22(24-28-14-20(37-24)12-17-2-4-18(27)5-3-17)29-23-21(31-8-11-36-26(31)34)13-19(15-32(23)25(16)33)30-6-9-35-10-7-30/h2-5,13-15H,6-12H2,1H3
InChIKeyRONPCHWMMBWXDX-UHFFFAOYSA-N
MW521.57 g/mol
LogP3.65
Rot. Bonds5

About 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

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 (PubChem CID 91025152) has the molecular formula C26H24FN5O4S and a molecular weight of 521.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID91025152
Molecular FormulaC26H24FN5O4S
Molecular Weight521.57 g/mol
Exact Mass521.15
IUPAC Name3-[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
SMILESCc1c(-c2ncc(Cc3ccc(F)cc3)s2)nc2c(N3CCOC3=O)cc(N3CCOCC3)cn2c1=O
InChIInChI=1S/C26H24FN5O4S/c1-16-22(24-28-14-20(37-24)12-17-2-4-18(27)5-3-17)29-23-21(31-8-11-36-26(31)34)13-19(15-32(23)25(16)33)30-6-9-35-10-7-30/h2-5,13-15H,6-12H2,1H3
InChIKeyRONPCHWMMBWXDX-UHFFFAOYSA-N
XLogP3.65
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.57
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
chloromethane;2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 143919832
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
7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 71029082
2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide
CID 135911605
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-[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
5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide
CID 135911588
3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one
CID 173483017
4-[9-[ethyl(sulfinato)amino]-2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl]morpholine
CID 137092081
3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 136630995
3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 158529514

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2ncc(Cc3ccc(F)cc3)s2)nc2c(N3CCOC3=O)cc(N3CCOCC3)cn2c1=O.
What is the InChIKey of 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?
The InChIKey is RONPCHWMMBWXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O4S/c1-16-22(24-28-14-20(37-24)12-17-2-4-18(27)5-3-17)29-23-21(31-8-11-36-26(31)34)13-19(15-32(23)25(16)33)30-6-9-35-10-7-30/h2-5,13-15H,6-12H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 521.57 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91025152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).