3-(2-phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one

C19H13F3N4OS — CID 24946598

IUPAC3-(2-phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2c(C(F)(F)F)nccc2nc(-c2cscn2)n1CCc1ccccc1
InChIInChI=1S/C19H13F3N4OS/c20-19(21,22)16-15-13(6-8-23-16)25-17(14-10-28-11-24-14)26(18(15)27)9-7-12-4-2-1-3-5-12/h1-6,8,10-11H,7,9H2
InChIKeyLNEHLQGPCMJMOI-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.18
Rot. Bonds4

About 3-(2-phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one

3-(2-phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 24946598) has the molecular formula C19H13F3N4OS and a molecular weight of 402.40 g/mol. Its IUPAC name is 3-(2-phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID24946598
Molecular FormulaC19H13F3N4OS
Molecular Weight402.40 g/mol
Exact Mass402.08
IUPAC Name3-(2-phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2c(C(F)(F)F)nccc2nc(-c2cscn2)n1CCc1ccccc1
InChIInChI=1S/C19H13F3N4OS/c20-19(21,22)16-15-13(6-8-23-16)25-17(14-10-28-11-24-14)26(18(15)27)9-7-12-4-2-1-3-5-12/h1-6,8,10-11H,7,9H2
InChIKeyLNEHLQGPCMJMOI-UHFFFAOYSA-N
XLogP4.18
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]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

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-(2-phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one (CID 24946598) is 3-(2-phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one is O=c1c2c(C(F)(F)F)nccc2nc(-c2cscn2)n1CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LNEHLQGPCMJMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4OS/c20-19(21,22)16-15-13(6-8-23-16)25-17(14-10-28-11-24-14)26(18(15)27)9-7-12-4-2-1-3-5-12/h1-6,8,10-11H,7,9H2.
What are the key properties of 3-(2-phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one?
3-(2-phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 402.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 24946598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).