[4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

C32H26ClF3N6O3 — CID 74220945

About [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

[4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 74220945) has the molecular formula C32H26ClF3N6O3 and a molecular weight of 635.05 g/mol. Its IUPAC name is [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

• Compound Name: [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
• PubChem CID: 74220945
• Molecular Formula: C32H26ClF3N6O3
• Molecular Weight: 635.05 g/mol
• Exact Mass: 634.17
• IUPAC Name: [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
• SMILES: COc1nc2c(OC)cc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1
• InChI: InChI=1S/C32H26ClF3N6O3/c1-41-18-37-17-27(41)31(43,20-7-10-26(38-16-20)32(34,35)36)21-14-23-28(33)24(30(45-3)40-29(23)25(15-21)44-2)13-19-5-8-22(9-6-19)42-12-4-11-39-42/h4-12,14-18,43H,13H2,1-3H3
• InChIKey: YZSPDKGJSASVGJ-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 100.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.05
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The IUPAC name of [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 74220945) is [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

What is the SMILES notation for [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The canonical SMILES for [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is COc1nc2c(OC)cc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.

What is the InChIKey of [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The InChIKey is YZSPDKGJSASVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26ClF3N6O3/c1-41-18-37-17-27(41)31(43,20-7-10-26(38-16-20)32(34,35)36)21-14-23-28(33)24(30(45-3)40-29(23)25(15-21)44-2)13-19-5-8-22(9-6-19)42-12-4-11-39-42/h4-12,14-18,43H,13H2,1-3H3.

What are the key properties of [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

[4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 635.05 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 74220945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).