1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one

C20H13F3N4O2 — CID 154366196

IUPAC1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(Nc2cccc(-c3cccc(C(F)(F)F)c3)c2)c2cccnc2n1O
InChIInChI=1S/C20H13F3N4O2/c21-20(22,23)14-6-1-4-12(10-14)13-5-2-7-15(11-13)25-17-16-8-3-9-24-18(16)27(29)19(28)26-17/h1-11,29H,(H,25,26,28)
InChIKeyOYIXHFNBAYSONI-UHFFFAOYSA-N
MW398.34 g/mol
LogP4.46
Rot. Bonds3

About 1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one

1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 154366196) has the molecular formula C20H13F3N4O2 and a molecular weight of 398.34 g/mol. Its IUPAC name is 1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one
PubChem CID154366196
Molecular FormulaC20H13F3N4O2
Molecular Weight398.34 g/mol
Exact Mass398.10
IUPAC Name1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(Nc2cccc(-c3cccc(C(F)(F)F)c3)c2)c2cccnc2n1O
InChIInChI=1S/C20H13F3N4O2/c21-20(22,23)14-6-1-4-12(10-14)13-5-2-7-15(11-13)25-17-16-8-3-9-24-18(16)27(29)19(28)26-17/h1-11,29H,(H,25,26,28)
InChIKeyOYIXHFNBAYSONI-UHFFFAOYSA-N
XLogP4.46
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-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

1-hydroxy-4-[4-[4-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154326729
4-[3-[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]-N-methylbenzamide
CID 53258699
2-[4-[3-[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 134815319
4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 154079085
4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
CID 67253188
ethyl 3-[3-[[1-(2-methylpropoxy)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]phenyl]benzoate
CID 123645844
4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one
CID 123353263
N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline
CID 142703833
6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19148505
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide
CID 45255149
N-[3-(trifluoromethyl)phenyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 110435108

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one (CID 154366196) is 1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one is O=c1nc(Nc2cccc(-c3cccc(C(F)(F)F)c3)c2)c2cccnc2n1O.
What is the InChIKey of 1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is OYIXHFNBAYSONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2/c21-20(22,23)14-6-1-4-12(10-14)13-5-2-7-15(11-13)25-17-16-8-3-9-24-18(16)27(29)19(28)26-17/h1-11,29H,(H,25,26,28).
What are the key properties of 1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one?
1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 398.34 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 154366196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).