3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C21H18F3N3O3 — CID 138532197

IUPAC3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(C(F)(F)F)nc2c(-c3ccc(C(=O)N4CCOCC4)cc3)cccn2c1=O
InChIInChI=1S/C21H18F3N3O3/c1-13-17(21(22,23)24)25-18-16(3-2-8-27(18)19(13)28)14-4-6-15(7-5-14)20(29)26-9-11-30-12-10-26/h2-8H,9-12H2,1H3
InChIKeyHTKSEEDYSBNTCQ-UHFFFAOYSA-N
MW417.39 g/mol
LogP3.16
Rot. Bonds2

About 3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 138532197) has the molecular formula C21H18F3N3O3 and a molecular weight of 417.39 g/mol. Its IUPAC name is 3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID138532197
Molecular FormulaC21H18F3N3O3
Molecular Weight417.39 g/mol
Exact Mass417.13
IUPAC Name3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(C(F)(F)F)nc2c(-c3ccc(C(=O)N4CCOCC4)cc3)cccn2c1=O
InChIInChI=1S/C21H18F3N3O3/c1-13-17(21(22,23)24)25-18-16(3-2-8-27(18)19(13)28)14-4-6-15(7-5-14)20(29)26-9-11-30-12-10-26/h2-8H,9-12H2,1H3
InChIKeyHTKSEEDYSBNTCQ-UHFFFAOYSA-N
XLogP3.16
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-(2,2-difluoromorpholine-4-carbonyl)phenyl]-3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 138532150
3-bromo-9-[4-(6,6-difluoro-1,4-oxazepane-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 138532083
2-fluoro-4-[3-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-9-yl]-N-[(3S)-oxolan-3-yl]benzamide
CID 138532170
3-bromo-2-(2-fluoropropan-2-yl)-9-[4-[1-[(2R)-2-methylmorpholin-4-yl]ethenyl]phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 138532201
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
morpholin-4-yl-(4-pyrazolo[1,5-a]pyridin-3-ylphenyl)methanone
CID 144901391
N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929450
5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
CID 46942383
4-[3-bromo-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-9-yl]-2-fluoro-N-methyl-N-(1-methylcyclopropyl)benzamide
CID 138532105
11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 3701216
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 138532197) is 3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1c(C(F)(F)F)nc2c(-c3ccc(C(=O)N4CCOCC4)cc3)cccn2c1=O.
What is the InChIKey of 3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HTKSEEDYSBNTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O3/c1-13-17(21(22,23)24)25-18-16(3-2-8-27(18)19(13)28)14-4-6-15(7-5-14)20(29)26-9-11-30-12-10-26/h2-8H,9-12H2,1H3.
What are the key properties of 3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 417.39 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 138532197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).