(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxamide;[3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol

C141H122Cl3F12N25O9S — CID 161398568

About (3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxamide;[3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol

(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxamide;[3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 161398568) has the molecular formula C141H122Cl3F12N25O9S and a molecular weight of 2677.09 g/mol. Its IUPAC name is (3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxamide;[3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

• Compound Name: (3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxamide;[3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol
• PubChem CID: 161398568
• Molecular Formula: C141H122Cl3F12N25O9S
• Molecular Weight: 2677.09 g/mol
• Exact Mass: 2673.85
• IUPAC Name: (3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxamide;[3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol
• SMILES: COc1c(Cc2ccccc2)c(C(C)(F)F)nc2ccc(C(O)(c3ccccn3)c3cncn3C)cc12.COc1nc2ccc(C(O)(c3cnnn3C)C3CN(C(N)=O)C3)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc2cc1Cc1ccc(C(C)(F)F)cc1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(-n3cccn3)c(Cc3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc2nc(C(F)(F)F)c(Cc3ccccc3)c(Cl)c2c1)c1ccccn1
• InChI: InChI=1S/C30H22ClF3N6O.C29H26F2N4O2.C28H27F2N5O2S.C27H20ClF3N4O.C27H27ClF2N6O3/c1-39-18-35-17-26(39)29(41,21-9-11-25(36-16-21)30(32,33)34)20-8-10-24-22(15-20)27(31)23(14-19-6-3-2-4-7-19)28(38-24)40-13-5-12-37-40;1-28(30,31)27-22(15-19-9-5-4-6-10-19)26(37-3)21-16-20(12-13-23(21)34-27)29(36,24-11-7-8-14-33-24)25-17-32-18-35(25)2;1-16-25(38-17(2)32-16)28(36,24-15-31-34-35(24)4)22-10-11-23-19(14-22)13-20(26(33-23)37-5)12-18-6-8-21(9-7-18)27(3,29)30;1-35-16-32-15-23(35)26(36,22-9-5-6-12-33-22)18-10-11-21-19(14-18)24(28)20(25(34-21)27(29,30)31)13-17-7-3-2-4-8-17;1-26(29,30)16-6-4-15(5-7-16)10-20-23(28)19-11-17(8-9-21(19)33-24(20)39-3)27(38,22-12-32-34-35(22)2)18-13-36(14-18)25(31)37/h2-13,15-18,41H,14H2,1H3;4-14,16-18,36H,15H2,1-3H3;6-11,13-15,36H,12H2,1-5H3;2-12,14-16,36H,13H2,1H3;4-9,11-12,18,38H,10,13-14H2,1-3H3,(H2,31,37)
• InChIKey: VTXUITKSWKJYPD-UHFFFAOYSA-N
• XLogP: 26.77
• TPSA: 423.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2677.09
LogP ≤ 5	26.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxamide;[3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol?

The IUPAC name of (3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxamide;[3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol (CID 161398568) is (3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxamide;[3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol.

What is the SMILES notation for (3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxamide;[3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol?

The canonical SMILES for (3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxamide;[3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol is COc1c(Cc2ccccc2)c(C(C)(F)F)nc2ccc(C(O)(c3ccccn3)c3cncn3C)cc12.COc1nc2ccc(C(O)(c3cnnn3C)C3CN(C(N)=O)C3)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc2cc1Cc1ccc(C(C)(F)F)cc1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(-n3cccn3)c(Cc3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc2nc(C(F)(F)F)c(Cc3ccccc3)c(Cl)c2c1)c1ccccn1.

What is the InChIKey of (3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxamide;[3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol?

The InChIKey is VTXUITKSWKJYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClF3N6O.C29H26F2N4O2.C28H27F2N5O2S.C27H20ClF3N4O.C27H27ClF2N6O3/c1-39-18-35-17-26(39)29(41,21-9-11-25(36-16-21)30(32,33)34)20-8-10-24-22(15-20)27(31)23(14-19-6-3-2-4-7-19)28(38-24)40-13-5-12-37-40;1-28(30,31)27-22(15-19-9-5-4-6-10-19)26(37-3)21-16-20(12-13-23(21)34-27)29(36,24-11-7-8-14-33-24)25-17-32-18-35(25)2;1-16-25(38-17(2)32-16)28(36,24-15-31-34-35(24)4)22-10-11-23-19(14-22)13-20(26(33-23)37-5)12-18-6-8-21(9-7-18)27(3,29)30;1-35-16-32-15-23(35)26(36,22-9-5-6-12-33-22)18-10-11-21-19(14-18)24(28)20(25(34-21)27(29,30)31)13-17-7-3-2-4-8-17;1-26(29,30)16-6-4-15(5-7-16)10-20-23(28)19-11-17(8-9-21(19)33-24(20)39-3)27(38,22-12-32-34-35(22)2)18-13-36(14-18)25(31)37/h2-13,15-18,41H,14H2,1H3;4-14,16-18,36H,15H2,1-3H3;6-11,13-15,36H,12H2,1-5H3;2-12,14-16,36H,13H2,1H3;4-9,11-12,18,38H,10,13-14H2,1-3H3,(H2,31,37).

What are the key properties of (3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxamide;[3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol?

(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxamide;[3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 2677.09 g/mol, XLogP of 26.77, 32 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxamide;[3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 161398568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).