1-benzyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C21H14F3N3O2 — CID 2353934

IUPAC1-benzyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)15-11-16(14-9-5-2-6-10-14)25-18-17(15)19(28)26-20(29)27(18)12-13-7-3-1-4-8-13/h1-11H,12H2,(H,26,28,29)
InChIKeyAOCFJIRTWKQQPL-UHFFFAOYSA-N
MW397.36 g/mol
LogP3.82
Rot. Bonds3

About 1-benzyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-benzyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2353934) has the molecular formula C21H14F3N3O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is 1-benzyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2353934
Molecular FormulaC21H14F3N3O2
Molecular Weight397.36 g/mol
Exact Mass397.10
IUPAC Name1-benzyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)15-11-16(14-9-5-2-6-10-14)25-18-17(15)19(28)26-20(29)27(18)12-13-7-3-1-4-8-13/h1-11H,12H2,(H,26,28,29)
InChIKeyAOCFJIRTWKQQPL-UHFFFAOYSA-N
XLogP3.82
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione 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 1-benzyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 2353934) is 1-benzyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12.
What is the InChIKey of 1-benzyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is AOCFJIRTWKQQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2/c22-21(23,24)15-11-16(14-9-5-2-6-10-14)25-18-17(15)19(28)26-20(29)27(18)12-13-7-3-1-4-8-13/h1-11H,12H2,(H,26,28,29).
What are the key properties of 1-benzyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-benzyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 397.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2353934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).