6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C36H32F3N7O2 — CID 71249855

About 6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 71249855) has the molecular formula C36H32F3N7O2 and a molecular weight of 651.69 g/mol. Its IUPAC name is 6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 71249855
• Molecular Formula: C36H32F3N7O2
• Molecular Weight: 651.69 g/mol
• Exact Mass: 651.26
• IUPAC Name: 6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1cc(-c2cnn(C)c2)ccc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O
• InChI: InChI=1S/C36H32F3N7O2/c1-22-15-24(27-18-42-45(2)20-27)9-12-29(22)30-16-26-17-41-35(43-28-10-7-23(8-11-28)32-19-40-13-14-48-32)44-33(26)46(34(30)47)21-25-5-3-4-6-31(25)36(37,38)39/h3-12,15-18,20,32,40H,13-14,19,21H2,1-2H3,(H,41,43,44)
• InChIKey: SYKOZAHSUAGYQF-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 98.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.69
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 71249855) is 6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is Cc1cc(-c2cnn(C)c2)ccc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.

What is the InChIKey of 6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is SYKOZAHSUAGYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32F3N7O2/c1-22-15-24(27-18-42-45(2)20-27)9-12-29(22)30-16-26-17-41-35(43-28-10-7-23(8-11-28)32-19-40-13-14-48-32)44-33(26)46(34(30)47)21-25-5-3-4-6-31(25)36(37,38)39/h3-12,15-18,20,32,40H,13-14,19,21H2,1-2H3,(H,41,43,44).

What are the key properties of 6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 651.69 g/mol, XLogP of 6.64, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71249855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).