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

C37H37F3N6O2 — CID 70934377

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

6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70934377) has the molecular formula C37H37F3N6O2 and a molecular weight of 654.74 g/mol. Its IUPAC name is 6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 70934377
• Molecular Formula: C37H37F3N6O2
• Molecular Weight: 654.74 g/mol
• Exact Mass: 654.29
• IUPAC Name: 6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1ccc(-c2cc3cnc(Nc4ccc(C5CNCCO5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)c(C2CCNCC2)c1
• InChI: InChI=1S/C37H37F3N6O2/c1-23-6-11-29(30(18-23)24-12-14-41-15-13-24)31-19-27-20-43-36(44-28-9-7-25(8-10-28)33-21-42-16-17-48-33)45-34(27)46(35(31)47)22-26-4-2-3-5-32(26)37(38,39)40/h2-11,18-20,24,33,41-42H,12-17,21-22H2,1H3,(H,43,44,45)
• InChIKey: DYMAULCMZFQWCU-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 93.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.74
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 70934377) is 6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

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

The canonical SMILES for 6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is Cc1ccc(-c2cc3cnc(Nc4ccc(C5CNCCO5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)c(C2CCNCC2)c1.

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

The InChIKey is DYMAULCMZFQWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37F3N6O2/c1-23-6-11-29(30(18-23)24-12-14-41-15-13-24)31-19-27-20-43-36(44-28-9-7-25(8-10-28)33-21-42-16-17-48-33)45-34(27)46(35(31)47)22-26-4-2-3-5-32(26)37(38,39)40/h2-11,18-20,24,33,41-42H,12-17,21-22H2,1H3,(H,43,44,45).

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

6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 654.74 g/mol, XLogP of 6.71, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70934377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).