[4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-8-fluoro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanol

C125H110Cl4F7N19O13S2 — CID 160817473

About [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-8-fluoro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanol

[4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-8-fluoro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanol (PubChem CID 160817473) has the molecular formula C125H110Cl4F7N19O13S2 and a molecular weight of 2425.31 g/mol. Its IUPAC name is [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-8-fluoro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanol.

Molecular Properties

• Compound Name: [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-8-fluoro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanol
• PubChem CID: 160817473
• Molecular Formula: C125H110Cl4F7N19O13S2
• Molecular Weight: 2425.31 g/mol
• Exact Mass: 2421.66
• IUPAC Name: [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-8-fluoro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanol
• SMILES: COc1nc2c(F)cc(C(O)(c3ccc(C(C)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2c(OC)cc(C(O)(c3ccc(C(C)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(C(C)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(S(C)(=O)=O)cc1.COc1nc2ccc(C(O)(c3ccc(C)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(S(C)(=O)=O)cc1
• InChI: InChI=1S/C33H29ClF2N6O3.C32H26ClF3N6O2.C30H27ClF2N4O4S.C30H28ClN3O4S/c1-32(35,36)27-11-8-21(17-38-27)33(43,28-18-37-19-41(28)2)22-15-24-29(34)25(31(45-4)40-30(24)26(16-22)44-3)14-20-6-9-23(10-7-20)42-13-5-12-39-42;1-31(35,36)26-10-7-20(16-38-26)32(43,27-17-37-18-41(27)2)21-14-23-28(33)24(30(44-3)40-29(23)25(34)15-21)13-19-5-8-22(9-6-19)42-12-4-11-39-42;1-29(32,33)25-12-8-20(15-35-25)30(38,26-16-34-17-37(26)2)19-7-11-24-22(14-19)27(31)23(28(36-24)41-3)13-18-5-9-21(10-6-18)42(4,39)40;1-19-5-9-21(10-6-19)30(35,27-17-32-18-34(27)2)22-11-14-26-24(16-22)28(31)25(29(33-26)38-3)15-20-7-12-23(13-8-20)39(4,36)37/h5-13,15-19,43H,14H2,1-4H3;4-12,14-18,43H,13H2,1-3H3;5-12,14-17,38H,13H2,1-4H3;5-14,16-18,35H,15H2,1-4H3
• InChIKey: SFBZJBMFNMTYRJ-UHFFFAOYSA-N
• XLogP: 23.18
• TPSA: 392.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 32
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2425.31
LogP ≤ 5	23.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

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

The IUPAC name of [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-8-fluoro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanol (CID 160817473) is [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-8-fluoro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanol.

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

The canonical SMILES for [4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-8-fluoro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanol is COc1nc2c(F)cc(C(O)(c3ccc(C(C)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2c(OC)cc(C(O)(c3ccc(C(C)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(C(C)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(S(C)(=O)=O)cc1.COc1nc2ccc(C(O)(c3ccc(C)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(S(C)(=O)=O)cc1.

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

The InChIKey is SFBZJBMFNMTYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29ClF2N6O3.C32H26ClF3N6O2.C30H27ClF2N4O4S.C30H28ClN3O4S/c1-32(35,36)27-11-8-21(17-38-27)33(43,28-18-37-19-41(28)2)22-15-24-29(34)25(31(45-4)40-30(24)26(16-22)44-3)14-20-6-9-23(10-7-20)42-13-5-12-39-42;1-31(35,36)26-10-7-20(16-38-26)32(43,27-17-37-18-41(27)2)21-14-23-28(33)24(30(44-3)40-29(23)25(34)15-21)13-19-5-8-22(9-6-19)42-12-4-11-39-42;1-29(32,33)25-12-8-20(15-35-25)30(38,26-16-34-17-37(26)2)19-7-11-24-22(14-19)27(31)23(28(36-24)41-3)13-18-5-9-21(10-6-18)42(4,39)40;1-19-5-9-21(10-6-19)30(35,27-17-32-18-34(27)2)22-11-14-26-24(16-22)28(31)25(29(33-26)38-3)15-20-7-12-23(13-8-20)39(4,36)37/h5-13,15-19,43H,14H2,1-4H3;4-12,14-18,43H,13H2,1-3H3;5-12,14-17,38H,13H2,1-4H3;5-14,16-18,35H,15H2,1-4H3.

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

[4-chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-8-fluoro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanol has a molecular weight of 2425.31 g/mol, XLogP of 23.18, 32 rotatable bonds, 4 hydrogen bond donors, and 32 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]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-8-fluoro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanol is sourced from PubChem (CID 160817473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).