[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile

C98H89Cl4F14N17O9 — CID 157422765

About [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile

[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile (PubChem CID 157422765) has the molecular formula C98H89Cl4F14N17O9 and a molecular weight of 2056.68 g/mol. Its IUPAC name is [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile.

Molecular Properties

• Compound Name: [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile
• PubChem CID: 157422765
• Molecular Formula: C98H89Cl4F14N17O9
• Molecular Weight: 2056.68 g/mol
• Exact Mass: 2053.56
• IUPAC Name: [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile
• SMILES: COc1nc2ccc(C(O)(c3c(C)nn(C)c3C)c3cnc(C)n3C)cc2c(Cl)c1OCC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(C#N)c1CC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1CC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1CC(C)(F)F
• InChI: InChI=1S/C25H28ClF2N5O3.C25H20F5N5O2.C24H21Cl2F2N3O2.C24H20ClF5N4O2/c1-13-20(14(2)33(6)31-13)25(34,19-11-29-15(3)32(19)5)16-8-9-18-17(10-16)21(26)22(23(30-18)35-7)36-12-24(4,27)28;1-23(26,27)9-17-18(10-31)16-8-14(4-6-19(16)34-22(17)37-3)24(36,21-12-32-13-35(21)2)15-5-7-20(33-11-15)25(28,29)30;1-23(27,28)11-18-21(26)17-10-15(6-9-19(17)30-22(18)33-3)24(32,20-12-29-13-31(20)2)14-4-7-16(25)8-5-14;1-22(26,27)9-16-20(25)15-8-13(4-6-17(15)33-21(16)36-3)23(35,19-11-31-12-34(19)2)14-5-7-18(32-10-14)24(28,29)30/h8-11,34H,12H2,1-7H3;4-8,11-13,36H,9H2,1-3H3;4-10,12-13,32H,11H2,1-3H3;4-8,10-12,35H,9H2,1-3H3
• InChIKey: BPPICRVLPBHBKF-UHFFFAOYSA-N
• XLogP: 20.64
• TPSA: 317.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2056.68
LogP ≤ 5	20.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?

The IUPAC name of [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile (CID 157422765) is [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile.

What is the SMILES notation for [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?

The canonical SMILES for [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile is COc1nc2ccc(C(O)(c3c(C)nn(C)c3C)c3cnc(C)n3C)cc2c(Cl)c1OCC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(C#N)c1CC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1CC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1CC(C)(F)F.

What is the InChIKey of [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?

The InChIKey is BPPICRVLPBHBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClF2N5O3.C25H20F5N5O2.C24H21Cl2F2N3O2.C24H20ClF5N4O2/c1-13-20(14(2)33(6)31-13)25(34,19-11-29-15(3)32(19)5)16-8-9-18-17(10-16)21(26)22(23(30-18)35-7)36-12-24(4,27)28;1-23(26,27)9-17-18(10-31)16-8-14(4-6-19(16)34-22(17)37-3)24(36,21-12-32-13-35(21)2)15-5-7-20(33-11-15)25(28,29)30;1-23(27,28)11-18-21(26)17-10-15(6-9-19(17)30-22(18)33-3)24(32,20-12-29-13-31(20)2)14-4-7-16(25)8-5-14;1-22(26,27)9-16-20(25)15-8-13(4-6-17(15)33-21(16)36-3)23(35,19-11-31-12-34(19)2)14-5-7-18(32-10-14)24(28,29)30/h8-11,34H,12H2,1-7H3;4-8,11-13,36H,9H2,1-3H3;4-10,12-13,32H,11H2,1-3H3;4-8,10-12,35H,9H2,1-3H3.

What are the key properties of [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile?

[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile has a molecular weight of 2056.68 g/mol, XLogP of 20.64, 25 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile is sourced from PubChem (CID 157422765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).