3-cyclopropyl-5-(2-fluoro-4-methylsulfanylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione

C24H21FN4O3S — CID 59717016

IUPAC3-cyclopropyl-5-(2-fluoro-4-methylsulfanylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCSc1ccc(Nc2cc(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccccc2)c(F)c1
InChIInChI=1S/C24H21FN4O3S/c1-27-20(30)13-19(26-18-11-10-16(33-2)12-17(18)25)21-22(27)28(14-6-4-3-5-7-14)24(32)29(23(21)31)15-8-9-15/h3-7,10-13,15,26H,8-9H2,1-2H3
InChIKeyNNVOHLQRLHEWGH-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.79
Rot. Bonds5

About 3-cyclopropyl-5-(2-fluoro-4-methylsulfanylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione

3-cyclopropyl-5-(2-fluoro-4-methylsulfanylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59717016) has the molecular formula C24H21FN4O3S and a molecular weight of 464.52 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2-fluoro-4-methylsulfanylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name3-cyclopropyl-5-(2-fluoro-4-methylsulfanylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID59717016
Molecular FormulaC24H21FN4O3S
Molecular Weight464.52 g/mol
Exact Mass464.13
IUPAC Name3-cyclopropyl-5-(2-fluoro-4-methylsulfanylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCSc1ccc(Nc2cc(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccccc2)c(F)c1
InChIInChI=1S/C24H21FN4O3S/c1-27-20(30)13-19(26-18-11-10-16(33-2)12-17(18)25)21-22(27)28(14-6-4-3-5-7-14)24(32)29(23(21)31)15-8-9-15/h3-7,10-13,15,26H,8-9H2,1-2H3
InChIKeyNNVOHLQRLHEWGH-UHFFFAOYSA-N
XLogP3.79
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-cyclopropyl-5-(2-fluoro-4-methylsulfanylanilino)-8-methyl-1-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 3-cyclopropyl-5-(2-fluoro-4-methylsulfanylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 3-cyclopropyl-5-(2-fluoro-4-methylsulfanylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 59717016) is 3-cyclopropyl-5-(2-fluoro-4-methylsulfanylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 3-cyclopropyl-5-(2-fluoro-4-methylsulfanylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 3-cyclopropyl-5-(2-fluoro-4-methylsulfanylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is CSc1ccc(Nc2cc(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccccc2)c(F)c1.
What is the InChIKey of 3-cyclopropyl-5-(2-fluoro-4-methylsulfanylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is NNVOHLQRLHEWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3S/c1-27-20(30)13-19(26-18-11-10-16(33-2)12-17(18)25)21-22(27)28(14-6-4-3-5-7-14)24(32)29(23(21)31)15-8-9-15/h3-7,10-13,15,26H,8-9H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-(2-fluoro-4-methylsulfanylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
3-cyclopropyl-5-(2-fluoro-4-methylsulfanylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 464.52 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2-fluoro-4-methylsulfanylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59717016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).