5-(4-fluoroanilino)-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione

C21H17FN4O3 — CID 2785962

IUPAC5-(4-fluoroanilino)-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(Nc3ccc(F)cc3)cc(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C21H17FN4O3/c1-24-19-18(20(28)25(2)21(24)29)16(23-14-10-8-13(22)9-11-14)12-17(27)26(19)15-6-4-3-5-7-15/h3-12,23H,1-2H3
InChIKeyPWWQIFBQHPTZKQ-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.27
Rot. Bonds3

About 5-(4-fluoroanilino)-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione

5-(4-fluoroanilino)-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 2785962) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is 5-(4-fluoroanilino)-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(4-fluoroanilino)-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID2785962
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC Name5-(4-fluoroanilino)-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(Nc3ccc(F)cc3)cc(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C21H17FN4O3/c1-24-19-18(20(28)25(2)21(24)29)16(23-14-10-8-13(22)9-11-14)12-17(27)26(19)15-6-4-3-5-7-15/h3-12,23H,1-2H3
InChIKeyPWWQIFBQHPTZKQ-UHFFFAOYSA-N
XLogP2.27
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-fluoroanilino)-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione 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 5-(4-fluoroanilino)-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(4-fluoroanilino)-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 2785962) is 5-(4-fluoroanilino)-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(4-fluoroanilino)-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(4-fluoroanilino)-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c2c(Nc3ccc(F)cc3)cc(=O)n(-c3ccccc3)c2n(C)c1=O.
What is the InChIKey of 5-(4-fluoroanilino)-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is PWWQIFBQHPTZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-24-19-18(20(28)25(2)21(24)29)16(23-14-10-8-13(22)9-11-14)12-17(27)26(19)15-6-4-3-5-7-15/h3-12,23H,1-2H3.
What are the key properties of 5-(4-fluoroanilino)-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
5-(4-fluoroanilino)-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 392.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoroanilino)-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 2785962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).