6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)-(oxan-4-yl)methanol;1-[4-[[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]piperidin-1-yl]ethanone

C159H150Cl4F7N31O11 — CID 160921278

About 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)-(oxan-4-yl)methanol;1-[4-[[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]piperidin-1-yl]ethanone

6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)-(oxan-4-yl)methanol;1-[4-[[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 160921278) has the molecular formula C159H150Cl4F7N31O11 and a molecular weight of 2945.95 g/mol. Its IUPAC name is 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)-(oxan-4-yl)methanol;1-[4-[[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)-(oxan-4-yl)methanol;1-[4-[[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]piperidin-1-yl]ethanone
• PubChem CID: 160921278
• Molecular Formula: C159H150Cl4F7N31O11
• Molecular Weight: 2945.95 g/mol
• Exact Mass: 2942.08
• IUPAC Name: 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)-(oxan-4-yl)methanol;1-[4-[[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(C(O)(c2cc(C)c3nc(C#N)c(Cc4ccc(-n5cccn5)cc4)c(C#N)c3c2)c2cncn2C)CC1.CC(=O)N1CCC(C(O)(c2cc(C)c3nc(Cl)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)c2cnnn2C)CC1.CC(=O)N1CCC(C(O)(c2ccc(C(F)(F)F)nc2)c2cc(C)c3nc(C#N)c(Cc4ccc(-n5cccn5)cc4)c(C#N)c3c2)CC1.COc1nc2ccc(C(O)(c3cc(C)nc(C)c3)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3cnnn3C)C3CCOCC3)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1
• InChI: InChI=1S/C36H30F3N7O2.C34H32N8O2.C31H31Cl2N7O2.C30H28ClF2N5O2.C28H29ClF2N4O3/c1-22-16-27(35(48,25-10-14-45(15-11-25)23(2)47)26-6-9-33(42-21-26)36(37,38)39)18-30-31(19-40)29(32(20-41)44-34(22)30)17-24-4-7-28(8-5-24)46-13-3-12-43-46;1-22-15-26(34(44,32-20-37-21-40(32)3)25-9-13-41(14-10-25)23(2)43)17-29-30(18-35)28(31(19-36)39-33(22)29)16-24-5-7-27(8-6-24)42-12-4-11-38-42;1-19-15-23(31(42,27-18-34-37-38(27)3)22-9-13-39(14-10-22)20(2)41)17-25-28(32)26(30(33)36-29(19)25)16-21-5-7-24(8-6-21)40-12-4-11-35-40;1-17-12-22(13-18(2)35-17)30(39,26-16-34-37-38(26)4)21-10-11-25-23(15-21)27(31)24(28(36-25)40-5)14-19-6-8-20(9-7-19)29(3,32)33;1-27(30,31)18-6-4-17(5-7-18)14-22-25(29)21-15-20(8-9-23(21)33-26(22)37-3)28(36,19-10-12-38-13-11-19)24-16-32-34-35(24)2/h3-9,12-13,16,18,21,25,48H,10-11,14-15,17H2,1-2H3;4-8,11-12,15,17,20-21,25,44H,9-10,13-14,16H2,1-3H3;4-8,11-12,15,17-18,22,42H,9-10,13-14,16H2,1-3H3;6-13,15-16,39H,14H2,1-5H3;4-9,15-16,19,36H,10-14H2,1-3H3
• InChIKey: SSBIAWFAPCEFOW-UHFFFAOYSA-N
• XLogP: 26.93
• TPSA: 538.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 32
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2945.95
LogP ≤ 5	26.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)-(oxan-4-yl)methanol;1-[4-[[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]piperidin-1-yl]ethanone?

The IUPAC name of 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)-(oxan-4-yl)methanol;1-[4-[[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]piperidin-1-yl]ethanone (CID 160921278) is 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)-(oxan-4-yl)methanol;1-[4-[[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)-(oxan-4-yl)methanol;1-[4-[[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]piperidin-1-yl]ethanone?

The canonical SMILES for 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)-(oxan-4-yl)methanol;1-[4-[[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(O)(c2cc(C)c3nc(C#N)c(Cc4ccc(-n5cccn5)cc4)c(C#N)c3c2)c2cncn2C)CC1.CC(=O)N1CCC(C(O)(c2cc(C)c3nc(Cl)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)c2cnnn2C)CC1.CC(=O)N1CCC(C(O)(c2ccc(C(F)(F)F)nc2)c2cc(C)c3nc(C#N)c(Cc4ccc(-n5cccn5)cc4)c(C#N)c3c2)CC1.COc1nc2ccc(C(O)(c3cc(C)nc(C)c3)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3cnnn3C)C3CCOCC3)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.

What is the InChIKey of 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)-(oxan-4-yl)methanol;1-[4-[[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]piperidin-1-yl]ethanone?

The InChIKey is SSBIAWFAPCEFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30F3N7O2.C34H32N8O2.C31H31Cl2N7O2.C30H28ClF2N5O2.C28H29ClF2N4O3/c1-22-16-27(35(48,25-10-14-45(15-11-25)23(2)47)26-6-9-33(42-21-26)36(37,38)39)18-30-31(19-40)29(32(20-41)44-34(22)30)17-24-4-7-28(8-5-24)46-13-3-12-43-46;1-22-15-26(34(44,32-20-37-21-40(32)3)25-9-13-41(14-10-25)23(2)43)17-29-30(18-35)28(31(19-36)39-33(22)29)16-24-5-7-27(8-6-24)42-12-4-11-38-42;1-19-15-23(31(42,27-18-34-37-38(27)3)22-9-13-39(14-10-22)20(2)41)17-25-28(32)26(30(33)36-29(19)25)16-21-5-7-24(8-6-21)40-12-4-11-35-40;1-17-12-22(13-18(2)35-17)30(39,26-16-34-37-38(26)4)21-10-11-25-23(15-21)27(31)24(28(36-25)40-5)14-19-6-8-20(9-7-19)29(3,32)33;1-27(30,31)18-6-4-17(5-7-18)14-22-25(29)21-15-20(8-9-23(21)33-26(22)37-3)28(36,19-10-12-38-13-11-19)24-16-32-34-35(24)2/h3-9,12-13,16,18,21,25,48H,10-11,14-15,17H2,1-2H3;4-8,11-12,15,17,20-21,25,44H,9-10,13-14,16H2,1-3H3;4-8,11-12,15,17-18,22,42H,9-10,13-14,16H2,1-3H3;6-13,15-16,39H,14H2,1-5H3;4-9,15-16,19,36H,10-14H2,1-3H3.

What are the key properties of 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)-(oxan-4-yl)methanol;1-[4-[[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]piperidin-1-yl]ethanone?

6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)-(oxan-4-yl)methanol;1-[4-[[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 2945.95 g/mol, XLogP of 26.93, 32 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)-(oxan-4-yl)methanol;1-[4-[[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 160921278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).