3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one

C17H12F3N3O — CID 134810797

IUPAC3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccccc3C(F)(F)F)ccc2ncn1C1CC1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)12-4-2-1-3-11(12)13-7-8-14-15(22-13)16(24)23(9-21-14)10-5-6-10/h1-4,7-10H,5-6H2
InChIKeyMWHJEYRQHOCMGG-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.81
Rot. Bonds2

About 3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one

3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810797) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810797
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccccc3C(F)(F)F)ccc2ncn1C1CC1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)12-4-2-1-3-11(12)13-7-8-14-15(22-13)16(24)23(9-21-14)10-5-6-10/h1-4,7-10H,5-6H2
InChIKeyMWHJEYRQHOCMGG-UHFFFAOYSA-N
XLogP3.81
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-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

Related Compounds

3-Cyclopropyl-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one
CID 134805621
3-(2,4-Difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one
CID 134805921
3-(2,4-Difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134808323
3-Methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 134808333
N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide
CID 134808652
1-Benzyl-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810710
6-(4-Fluorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810828
6-(4-Fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810843
1-Benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810897
1-(Cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810941
1-(Cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810982
3-(2-Methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134810878

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one (CID 134810797) is 3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one is O=c1c2nc(-c3ccccc3C(F)(F)F)ccc2ncn1C1CC1.
What is the InChIKey of 3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is MWHJEYRQHOCMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c18-17(19,20)12-4-2-1-3-11(12)13-7-8-14-15(22-13)16(24)23(9-21-14)10-5-6-10/h1-4,7-10H,5-6H2.
What are the key properties of 3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one?
3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 331.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).