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

C23H18BrFN4O3 — CID 59717480

IUPAC5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)cc(Nc2ccc(Br)cc2F)c2c(=O)n(C3CC3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C23H18BrFN4O3/c1-27-19(30)12-18(26-17-10-7-13(24)11-16(17)25)20-21(27)28(14-5-3-2-4-6-14)23(32)29(22(20)31)15-8-9-15/h2-7,10-12,15,26H,8-9H2,1H3
InChIKeyIUYKWLAZZYMZLC-UHFFFAOYSA-N
MW497.32 g/mol
LogP3.83
Rot. Bonds4

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

5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59717480) has the molecular formula C23H18BrFN4O3 and a molecular weight of 497.32 g/mol. Its IUPAC name is 5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID59717480
Molecular FormulaC23H18BrFN4O3
Molecular Weight497.32 g/mol
Exact Mass496.05
IUPAC Name5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)cc(Nc2ccc(Br)cc2F)c2c(=O)n(C3CC3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C23H18BrFN4O3/c1-27-19(30)12-18(26-17-10-7-13(24)11-16(17)25)20-21(27)28(14-5-3-2-4-6-14)23(32)29(22(20)31)15-8-9-15/h2-7,10-12,15,26H,8-9H2,1H3
InChIKeyIUYKWLAZZYMZLC-UHFFFAOYSA-N
XLogP3.83
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-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 5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 59717480) is 5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)cc(Nc2ccc(Br)cc2F)c2c(=O)n(C3CC3)c(=O)n(-c3ccccc3)c21.
What is the InChIKey of 5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is IUYKWLAZZYMZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrFN4O3/c1-27-19(30)12-18(26-17-10-7-13(24)11-16(17)25)20-21(27)28(14-5-3-2-4-6-14)23(32)29(22(20)31)15-8-9-15/h2-7,10-12,15,26H,8-9H2,1H3.
What are the key properties of 5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 497.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59717480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).