[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol

C82H89Cl3F11N17O5 — CID 160526537

IUPAC[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNC(C)(C)C(F)(F)F.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CN[C@H](C)C(C)(F)F.Cn1nccc1C(O)(c1ccnc(C(F)(F)F)c1)c1ccc2nc(C3CC3)c(CN3CCC(C(F)(F)F)CC3)c(Cl)c2c1
InChIInChI=1S/C30H28ClF6N5O.C26H30ClF3N6O2.C26H31ClF2N6O2/c1-41-25(7-11-39-41)28(43,20-6-10-38-24(15-20)30(35,36)37)19-4-5-23-21(14-19)26(31)22(27(40-23)17-2-3-17)16-42-12-8-18(9-13-42)29(32,33)34;1-14-31-12-20(35(14)5)25(37,21-13-32-15(2)36(21)6)16-8-9-19-17(10-16)22(27)18(23(34-19)38-7)11-33-24(3,4)26(28,29)30;1-14(25(4,28)29)30-11-19-23(27)18-10-17(8-9-20(18)33-24(19)37-7)26(36,21-12-31-15(2)34(21)5)22-13-32-16(3)35(22)6/h4-7,10-11,14-15,17-18,43H,2-3,8-9,12-13,16H2,1H3;8-10,12-13,33,37H,11H2,1-7H3;8-10,12-14,30,36H,11H2,1-7H3/t;;14-/m..1/s1
InChIKeyQUYXXBKREDYRIE-FDTWOBDVSA-N
MW1708.06 g/mol
LogP16.06
Rot. Bonds21

About [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol

[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol (PubChem CID 160526537) has the molecular formula C82H89Cl3F11N17O5 and a molecular weight of 1708.06 g/mol. Its IUPAC name is [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
PubChem CID160526537
Molecular FormulaC82H89Cl3F11N17O5
Molecular Weight1708.06 g/mol
Exact Mass1705.61
IUPAC Name[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNC(C)(C)C(F)(F)F.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CN[C@H](C)C(C)(F)F.Cn1nccc1C(O)(c1ccnc(C(F)(F)F)c1)c1ccc2nc(C3CC3)c(CN3CCC(C(F)(F)F)CC3)c(Cl)c2c1
InChIInChI=1S/C30H28ClF6N5O.C26H30ClF3N6O2.C26H31ClF2N6O2/c1-41-25(7-11-39-41)28(43,20-6-10-38-24(15-20)30(35,36)37)19-4-5-23-21(14-19)26(31)22(27(40-23)17-2-3-17)16-42-12-8-18(9-13-42)29(32,33)34;1-14-31-12-20(35(14)5)25(37,21-13-32-15(2)36(21)6)16-8-9-19-17(10-16)22(27)18(23(34-19)38-7)11-33-24(3,4)26(28,29)30;1-14(25(4,28)29)30-11-19-23(27)18-10-17(8-9-20(18)33-24(19)37-7)26(36,21-12-31-15(2)34(21)5)22-13-32-16(3)35(22)6/h4-7,10-11,14-15,17-18,43H,2-3,8-9,12-13,16H2,1H3;8-10,12-13,33,37H,11H2,1-7H3;8-10,12-14,30,36H,11H2,1-7H3/t;;14-/m..1/s1
InChIKeyQUYXXBKREDYRIE-FDTWOBDVSA-N
XLogP16.06
TPSA247.11 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001708.06
LogP ≤ 516.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-(4-(1H-Pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)bis(1,2-dimethyl-1H-imidazol-5-yl)methanol
CID 118006127
[4-Chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol
CID 118006492
[4-Chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 74220611
[4-Chloro-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol
CID 118023309
(3-(4-(1H-Pyrazol-1-yl)benzyl)-4-chloro-2-methoxy-8-methylquinolin-6-yl)bis(1-methyl-1H-imidazol-5-yl)methanol
CID 74220881
[4-Chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[4-(dimethylamino)phenyl]-(3-methylimidazol-4-yl)methanol
CID 74221528
(3-(4-(1H-Pyrazol-1-yl)benzyl)-4-chloro-2-methoxy-8-methylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 86715664
[4-Chloro-8-fluoro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 117869579
[4-Chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-(1-methylimidazol-4-yl)methanol
CID 117880636
US10201546, Example 196
CID 118022030
US10201546, Example 201
CID 118022182
US10201546, Example 189b
CID 138637179

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol?
The IUPAC name of [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol (CID 160526537) is [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol.
What is the SMILES notation for [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol?
The canonical SMILES for [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol is COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNC(C)(C)C(F)(F)F.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CN[C@H](C)C(C)(F)F.Cn1nccc1C(O)(c1ccnc(C(F)(F)F)c1)c1ccc2nc(C3CC3)c(CN3CCC(C(F)(F)F)CC3)c(Cl)c2c1.
What is the InChIKey of [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol?
The InChIKey is QUYXXBKREDYRIE-FDTWOBDVSA-N. The full InChI is InChI=1S/C30H28ClF6N5O.C26H30ClF3N6O2.C26H31ClF2N6O2/c1-41-25(7-11-39-41)28(43,20-6-10-38-24(15-20)30(35,36)37)19-4-5-23-21(14-19)26(31)22(27(40-23)17-2-3-17)16-42-12-8-18(9-13-42)29(32,33)34;1-14-31-12-20(35(14)5)25(37,21-13-32-15(2)36(21)6)16-8-9-19-17(10-16)22(27)18(23(34-19)38-7)11-33-24(3,4)26(28,29)30;1-14(25(4,28)29)30-11-19-23(27)18-10-17(8-9-20(18)33-24(19)37-7)26(36,21-12-31-15(2)34(21)5)22-13-32-16(3)35(22)6/h4-7,10-11,14-15,17-18,43H,2-3,8-9,12-13,16H2,1H3;8-10,12-13,33,37H,11H2,1-7H3;8-10,12-14,30,36H,11H2,1-7H3/t;;14-/m..1/s1.
What are the key properties of [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol?
[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol has a molecular weight of 1708.06 g/mol, XLogP of 16.06, 21 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol is sourced from PubChem (CID 160526537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).