3-[(4-fluorophenyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C16H11F4N3O2 — CID 33363646

IUPAC3-[(4-fluorophenyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C16H11F4N3O2/c1-22-13-11(6-7-12(21-13)16(18,19)20)14(24)23(15(22)25)8-9-2-4-10(17)5-3-9/h2-7H,8H2,1H3
InChIKeyPIKJNCSSPDYXET-UHFFFAOYSA-N
MW353.28 g/mol
LogP2.30
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

3-[(4-fluorophenyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 33363646) has the molecular formula C16H11F4N3O2 and a molecular weight of 353.28 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID33363646
Molecular FormulaC16H11F4N3O2
Molecular Weight353.28 g/mol
Exact Mass353.08
IUPAC Name3-[(4-fluorophenyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C16H11F4N3O2/c1-22-13-11(6-7-12(21-13)16(18,19)20)14(24)23(15(22)25)8-9-2-4-10(17)5-3-9/h2-7H,8H2,1H3
InChIKeyPIKJNCSSPDYXET-UHFFFAOYSA-N
XLogP2.30
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(4-fluorophenyl)methyl]-1-methyl-7-(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 3-[(4-fluorophenyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 33363646) is 3-[(4-fluorophenyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccc(C(F)(F)F)nc21.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PIKJNCSSPDYXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O2/c1-22-13-11(6-7-12(21-13)16(18,19)20)14(24)23(15(22)25)8-9-2-4-10(17)5-3-9/h2-7H,8H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
3-[(4-fluorophenyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 353.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 33363646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).