[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-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-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile

C155H150Cl4F17N33O10 — CID 158428459

IUPAC[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-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-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile
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.Cc1nc2ccc(C(O)(c3ccc(C#N)cc3)c3cncn3C)cc2c(Cl)c1CC(F)(F)F.Cc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(C#N)c1CC(F)(F)F.Cn1cncc1C(O)(c1ccnc(C(F)(F)F)c1)c1ccc2nc(C3CC3)c(CN3CCC(C(F)(F)F)CC3)c(Cl)c2c1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC4CC4)c(C#N)c3c2)c2cncn2C)cc1
InChIInChI=1S/C30H28ClF6N5O.C27H23N5O3.C26H30ClF3N6O2.C26H31ClF2N6O2.C24H18ClF3N4O.C22H20F3N7O/c1-41-16-38-14-25(41)28(43,20-6-9-39-24(13-20)30(35,36)37)19-4-5-23-21(12-19)26(31)22(27(40-23)17-2-3-17)15-42-10-7-18(8-11-42)29(32,33)34;1-29-20-9-6-18(7-10-20)27(33,24-14-30-16-32(24)2)19-8-11-23-21(12-19)22(13-28)25(26(31-23)34-3)35-15-17-4-5-17;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;1-14-19(10-23(26,27)28)22(25)18-9-17(7-8-20(18)31-14)24(33,21-12-30-13-32(21)2)16-5-3-15(11-29)4-6-16;1-12-16(8-21(23,24)25)17(9-26)15-7-14(5-6-18(15)29-12)22(33,20-11-28-30-32(20)4)19-10-27-13(2)31(19)3/h4-6,9,12-14,16-18,43H,2-3,7-8,10-11,15H2,1H3;6-12,14,16-17,33H,4-5,15H2,2-3H3;8-10,12-13,33,37H,11H2,1-7H3;8-10,12-14,30,36H,11H2,1-7H3;3-9,12-13,33H,10H2,1-2H3;5-7,10-11,33H,8H2,1-4H3/t;;;14-;;/m...1../s1
InChIKeyHBIUTSBJRAEDSS-PZUQGUFXSA-N
MW3099.90 g/mol
LogP28.70
Rot. Bonds36

About [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-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-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile

[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-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-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile (PubChem CID 158428459) has the molecular formula C155H150Cl4F17N33O10 and a molecular weight of 3099.90 g/mol. Its IUPAC name is [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-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-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-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-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile
PubChem CID158428459
Molecular FormulaC155H150Cl4F17N33O10
Molecular Weight3099.90 g/mol
Exact Mass3096.07
IUPAC Name[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-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-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile
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.Cc1nc2ccc(C(O)(c3ccc(C#N)cc3)c3cncn3C)cc2c(Cl)c1CC(F)(F)F.Cc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(C#N)c1CC(F)(F)F.Cn1cncc1C(O)(c1ccnc(C(F)(F)F)c1)c1ccc2nc(C3CC3)c(CN3CCC(C(F)(F)F)CC3)c(Cl)c2c1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC4CC4)c(C#N)c3c2)c2cncn2C)cc1
InChIInChI=1S/C30H28ClF6N5O.C27H23N5O3.C26H30ClF3N6O2.C26H31ClF2N6O2.C24H18ClF3N4O.C22H20F3N7O/c1-41-16-38-14-25(41)28(43,20-6-9-39-24(13-20)30(35,36)37)19-4-5-23-21(12-19)26(31)22(27(40-23)17-2-3-17)15-42-10-7-18(8-11-42)29(32,33)34;1-29-20-9-6-18(7-10-20)27(33,24-14-30-16-32(24)2)19-8-11-23-21(12-19)22(13-28)25(26(31-23)34-3)35-15-17-4-5-17;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;1-14-19(10-23(26,27)28)22(25)18-9-17(7-8-20(18)31-14)24(33,21-12-30-13-32(21)2)16-5-3-15(11-29)4-6-16;1-12-16(8-21(23,24)25)17(9-26)15-7-14(5-6-18(15)29-12)22(33,20-11-28-30-32(20)4)19-10-27-13(2)31(19)3/h4-6,9,12-14,16-18,43H,2-3,7-8,10-11,15H2,1H3;6-12,14,16-17,33H,4-5,15H2,2-3H3;8-10,12-13,33,37H,11H2,1-7H3;8-10,12-14,30,36H,11H2,1-7H3;3-9,12-13,33H,10H2,1-2H3;5-7,10-11,33H,8H2,1-4H3/t;;;14-;;/m...1../s1
InChIKeyHBIUTSBJRAEDSS-PZUQGUFXSA-N
XLogP28.70
TPSA524.83 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds36
Heavy Atoms219
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003099.90
LogP ≤ 528.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-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-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-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-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile?
The IUPAC name of [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-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-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile (CID 158428459) is [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-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-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile.
What is the SMILES notation for [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-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-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile?
The canonical SMILES for [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-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-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile 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.Cc1nc2ccc(C(O)(c3ccc(C#N)cc3)c3cncn3C)cc2c(Cl)c1CC(F)(F)F.Cc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(C#N)c1CC(F)(F)F.Cn1cncc1C(O)(c1ccnc(C(F)(F)F)c1)c1ccc2nc(C3CC3)c(CN3CCC(C(F)(F)F)CC3)c(Cl)c2c1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC4CC4)c(C#N)c3c2)c2cncn2C)cc1.
What is the InChIKey of [4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-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-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile?
The InChIKey is HBIUTSBJRAEDSS-PZUQGUFXSA-N. The full InChI is InChI=1S/C30H28ClF6N5O.C27H23N5O3.C26H30ClF3N6O2.C26H31ClF2N6O2.C24H18ClF3N4O.C22H20F3N7O/c1-41-16-38-14-25(41)28(43,20-6-9-39-24(13-20)30(35,36)37)19-4-5-23-21(12-19)26(31)22(27(40-23)17-2-3-17)15-42-10-7-18(8-11-42)29(32,33)34;1-29-20-9-6-18(7-10-20)27(33,24-14-30-16-32(24)2)19-8-11-23-21(12-19)22(13-28)25(26(31-23)34-3)35-15-17-4-5-17;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;1-14-19(10-23(26,27)28)22(25)18-9-17(7-8-20(18)31-14)24(33,21-12-30-13-32(21)2)16-5-3-15(11-29)4-6-16;1-12-16(8-21(23,24)25)17(9-26)15-7-14(5-6-18(15)29-12)22(33,20-11-28-30-32(20)4)19-10-27-13(2)31(19)3/h4-6,9,12-14,16-18,43H,2-3,7-8,10-11,15H2,1H3;6-12,14,16-17,33H,4-5,15H2,2-3H3;8-10,12-13,33,37H,11H2,1-7H3;8-10,12-14,30,36H,11H2,1-7H3;3-9,12-13,33H,10H2,1-2H3;5-7,10-11,33H,8H2,1-4H3/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]-(3-methylimidazol-4-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-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile?
[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-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-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile has a molecular weight of 3099.90 g/mol, XLogP of 28.70, 36 rotatable bonds, 8 hydrogen bond donors, and 42 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]-(3-methylimidazol-4-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-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile is sourced from PubChem (CID 158428459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).