3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C34H25ClF3N3O — CID 17308198

About 3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 17308198) has the molecular formula C34H25ClF3N3O and a molecular weight of 584.04 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
• PubChem CID: 17308198
• Molecular Formula: C34H25ClF3N3O
• Molecular Weight: 584.04 g/mol
• Exact Mass: 583.16
• IUPAC Name: 3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
• SMILES: Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c(C(F)(F)F)cc(-c4ccc(OCc5cccc(C)c5)cc4)nc32)cc1
• InChI: InChI=1S/C34H25ClF3N3O/c1-21-6-14-27(15-7-21)41-33-31(32(40-41)25-8-12-26(35)13-9-25)29(34(36,37)38)19-30(39-33)24-10-16-28(17-11-24)42-20-23-5-3-4-22(2)18-23/h3-19H,20H2,1-2H3
• InChIKey: IEXZQCKFEVTYPZ-UHFFFAOYSA-N
• XLogP: 9.62
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.04
LogP ≤ 5	9.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?

The IUPAC name of 3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 17308198) is 3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

What is the SMILES notation for 3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?

The canonical SMILES for 3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c(C(F)(F)F)cc(-c4ccc(OCc5cccc(C)c5)cc4)nc32)cc1.

What is the InChIKey of 3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?

The InChIKey is IEXZQCKFEVTYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25ClF3N3O/c1-21-6-14-27(15-7-21)41-33-31(32(40-41)25-8-12-26(35)13-9-25)29(34(36,37)38)19-30(39-33)24-10-16-28(17-11-24)42-20-23-5-3-4-22(2)18-23/h3-19H,20H2,1-2H3.

What are the key properties of 3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?

3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 584.04 g/mol, XLogP of 9.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17308198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).