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

C26H19FN4O3 — CID 2785963

IUPAC5-(4-fluoroanilino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)cc(Nc2ccc(F)cc2)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C26H19FN4O3/c1-29-22(32)16-21(28-18-14-12-17(27)13-15-18)23-24(29)30(19-8-4-2-5-9-19)26(34)31(25(23)33)20-10-6-3-7-11-20/h2-16,28H,1H3
InChIKeyVRJSZTTZWLBYQG-UHFFFAOYSA-N
MW454.46 g/mol
LogP3.72
Rot. Bonds4

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

5-(4-fluoroanilino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 2785963) has the molecular formula C26H19FN4O3 and a molecular weight of 454.46 g/mol. Its IUPAC name is 5-(4-fluoroanilino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(4-fluoroanilino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID2785963
Molecular FormulaC26H19FN4O3
Molecular Weight454.46 g/mol
Exact Mass454.14
IUPAC Name5-(4-fluoroanilino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)cc(Nc2ccc(F)cc2)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C26H19FN4O3/c1-29-22(32)16-21(28-18-14-12-17(27)13-15-18)23-24(29)30(19-8-4-2-5-9-19)26(34)31(25(23)33)20-10-6-3-7-11-20/h2-16,28H,1H3
InChIKeyVRJSZTTZWLBYQG-UHFFFAOYSA-N
XLogP3.72
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoroanilino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(4-fluoroanilino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 2785963) is 5-(4-fluoroanilino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(4-fluoroanilino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(4-fluoroanilino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)cc(Nc2ccc(F)cc2)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21.
What is the InChIKey of 5-(4-fluoroanilino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is VRJSZTTZWLBYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O3/c1-29-22(32)16-21(28-18-14-12-17(27)13-15-18)23-24(29)30(19-8-4-2-5-9-19)26(34)31(25(23)33)20-10-6-3-7-11-20/h2-16,28H,1H3.
What are the key properties of 5-(4-fluoroanilino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
5-(4-fluoroanilino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 454.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoroanilino)-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 2785963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).