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

C17H13F3N4O — CID 134805621

IUPAC3-cyclopropyl-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(Nc3ccc(C(F)(F)F)cc3)ccc2ncn1C1CC1
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)10-1-3-11(4-2-10)22-14-8-7-13-15(23-14)16(25)24(9-21-13)12-5-6-12/h1-4,7-9,12H,5-6H2,(H,22,23)
InChIKeyIIXMFMSXWDXUKL-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.89
Rot. Bonds3

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

3-cyclopropyl-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134805621) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 3-cyclopropyl-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one
PubChem CID134805621
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name3-cyclopropyl-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(Nc3ccc(C(F)(F)F)cc3)ccc2ncn1C1CC1
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)10-1-3-11(4-2-10)22-14-8-7-13-15(23-14)16(25)24(9-21-13)12-5-6-12/h1-4,7-9,12H,5-6H2,(H,22,23)
InChIKeyIIXMFMSXWDXUKL-UHFFFAOYSA-N
XLogP3.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-6-[4-(trifluoromethyl)anilino]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

4-fluoro-N-[2-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]benzamide
CID 11741442
3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(cyclopropylamino)pyridin-2-yl)-(1H)-pyridin-2-one
CID 11718919
N-[6-[(1-cyclopropylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide
CID 146420009
1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3670747
N-(4-Acetylphenyl)-2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-B]quinolin-3-YL}butanamide
CID 16029364
2,5-dimethyl-N-(6-methylpyridin-2-yl)-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 71580334
5-[[(2S)-2-amino-4,4-difluorobutyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 118733347
5-[[(2R)-2-amino-3,3,3-trifluoropropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 118733348
CID 136177302
CID 136177302
6-(2-aminoethylamino)-8-[3-(trifluoromethyl)anilino]-2H-2,7-naphthyridin-1-one
CID 44180493
5-(Cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50923703
7-(3,4-Diaminophenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50924430

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one (CID 134805621) is 3-cyclopropyl-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one is O=c1c2nc(Nc3ccc(C(F)(F)F)cc3)ccc2ncn1C1CC1.
What is the InChIKey of 3-cyclopropyl-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is IIXMFMSXWDXUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c18-17(19,20)10-1-3-11(4-2-10)22-14-8-7-13-15(23-14)16(25)24(9-21-13)12-5-6-12/h1-4,7-9,12H,5-6H2,(H,22,23).
What are the key properties of 3-cyclopropyl-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one?
3-cyclopropyl-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 346.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134805621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).