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

C25H21FN4O3 — CID 59717452

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

3-cyclopropyl-5-(4-ethenyl-2-fluoroanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59717452) has the molecular formula C25H21FN4O3 and a molecular weight of 444.47 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4-ethenyl-2-fluoroanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

• Compound Name: 3-cyclopropyl-5-(4-ethenyl-2-fluoroanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
• PubChem CID: 59717452
• Molecular Formula: C25H21FN4O3
• Molecular Weight: 444.47 g/mol
• Exact Mass: 444.16
• IUPAC Name: 3-cyclopropyl-5-(4-ethenyl-2-fluoroanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
• SMILES: C=Cc1ccc(Nc2cc(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccccc2)c(F)c1
• InChI: InChI=1S/C25H21FN4O3/c1-3-15-9-12-19(18(26)13-15)27-20-14-21(31)28(2)23-22(20)24(32)30(17-10-11-17)25(33)29(23)16-7-5-4-6-8-16/h3-9,12-14,17,27H,1,10-11H2,2H3
• InChIKey: VOSPNMOJYJRTHM-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 78.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.47
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4-ethenyl-2-fluoroanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?

The IUPAC name of 3-cyclopropyl-5-(4-ethenyl-2-fluoroanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 59717452) is 3-cyclopropyl-5-(4-ethenyl-2-fluoroanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

What is the SMILES notation for 3-cyclopropyl-5-(4-ethenyl-2-fluoroanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?

The canonical SMILES for 3-cyclopropyl-5-(4-ethenyl-2-fluoroanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is C=Cc1ccc(Nc2cc(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccccc2)c(F)c1.

What is the InChIKey of 3-cyclopropyl-5-(4-ethenyl-2-fluoroanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?

The InChIKey is VOSPNMOJYJRTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3/c1-3-15-9-12-19(18(26)13-15)27-20-14-21(31)28(2)23-22(20)24(32)30(17-10-11-17)25(33)29(23)16-7-5-4-6-8-16/h3-9,12-14,17,27H,1,10-11H2,2H3.

What are the key properties of 3-cyclopropyl-5-(4-ethenyl-2-fluoroanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?

3-cyclopropyl-5-(4-ethenyl-2-fluoroanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 444.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-5-(4-ethenyl-2-fluoroanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59717452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).