6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-8-phenyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C35H28F3N7O — CID 90210685

About 6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-8-phenyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-8-phenyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 90210685) has the molecular formula C35H28F3N7O and a molecular weight of 619.65 g/mol. Its IUPAC name is 6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-8-phenyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-8-phenyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 90210685
• Molecular Formula: C35H28F3N7O
• Molecular Weight: 619.65 g/mol
• Exact Mass: 619.23
• IUPAC Name: 6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-8-phenyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cn1ccnc1-c1ccc(-c2cc3cnc(Nc4ccc(C5=CCNCC5)cc4)nc3n(-c3ccccc3)c2=O)c(C(F)(F)F)c1
• InChI: InChI=1S/C35H28F3N7O/c1-44-18-17-40-31(44)24-9-12-28(30(20-24)35(36,37)38)29-19-25-21-41-34(43-32(25)45(33(29)46)27-5-3-2-4-6-27)42-26-10-7-22(8-11-26)23-13-15-39-16-14-23/h2-13,17-21,39H,14-16H2,1H3,(H,41,42,43)
• InChIKey: CDUDMCHWKZKFRJ-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 89.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.65
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-8-phenyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-8-phenyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 90210685) is 6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-8-phenyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-8-phenyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-8-phenyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is Cn1ccnc1-c1ccc(-c2cc3cnc(Nc4ccc(C5=CCNCC5)cc4)nc3n(-c3ccccc3)c2=O)c(C(F)(F)F)c1.

What is the InChIKey of 6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-8-phenyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is CDUDMCHWKZKFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28F3N7O/c1-44-18-17-40-31(44)24-9-12-28(30(20-24)35(36,37)38)29-19-25-21-41-34(43-32(25)45(33(29)46)27-5-3-2-4-6-27)42-26-10-7-22(8-11-26)23-13-15-39-16-14-23/h2-13,17-21,39H,14-16H2,1H3,(H,41,42,43).

What are the key properties of 6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-8-phenyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-8-phenyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 619.65 g/mol, XLogP of 6.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-8-phenyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90210685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).