[2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2-chloro-3-ethyl-4-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone

C122H129Cl5F6N26O10 — CID 157465463

About [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2-chloro-3-ethyl-4-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone

[2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2-chloro-3-ethyl-4-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone (PubChem CID 157465463) has the molecular formula C122H129Cl5F6N26O10 and a molecular weight of 2410.80 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2-chloro-3-ethyl-4-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone.

Molecular Properties

• Compound Name: [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2-chloro-3-ethyl-4-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone
• PubChem CID: 157465463
• Molecular Formula: C122H129Cl5F6N26O10
• Molecular Weight: 2410.80 g/mol
• Exact Mass: 2406.87
• IUPAC Name: [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2-chloro-3-ethyl-4-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone
• SMILES: CCc1c(Cl)nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c1OC.CCc1c(OC)nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C)nc3)C3CN(C(C)=O)C3)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C1CCCC1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(CC(F)(F)F)c(Cl)c2c1
• InChI: InChI=1S/C29H35ClN4O3.C26H28ClN5O2.C25H20ClF6N5O.2C21H23ClN6O2/c1-18-9-11-33(12-10-18)17-25-27(30)24-13-21(7-8-26(24)32-28(25)37-4)29(36,22-6-5-19(2)31-14-22)23-15-34(16-23)20(3)35;1-15-9-11-20(16(2)29-15)26(33,22-14-28-31-32(22)3)18-10-12-21-19(13-18)24(27)23(25(30-21)34-4)17-7-5-6-8-17;1-36-13-33-12-20(36)24(38,15-4-6-19(34-11-15)25(30,31)32)14-3-5-18-16(9-14)21(26)17(10-23(27,28)29)22(35-18)37-7-2-8-37;1-6-14-19(30-5)15-9-13(7-8-16(15)25-20(14)22)21(29,18-11-24-26-28(18)4)17-10-23-12(2)27(17)3;1-6-14-19(22)15-9-13(7-8-16(15)25-20(14)30-5)21(29,18-11-24-26-28(18)4)17-10-23-12(2)27(17)3/h5-8,13-14,18,23,36H,9-12,15-17H2,1-4H3;9-14,17,33H,5-8H2,1-4H3;3-6,9,11-13,38H,2,7-8,10H2,1H3;2*7-11,29H,6H2,1-5H3
• InChIKey: BUKOTLLTDVCDCV-UHFFFAOYSA-N
• XLogP: 20.99
• TPSA: 413.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 26
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2410.80
LogP ≤ 5	20.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2-chloro-3-ethyl-4-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone?

The IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2-chloro-3-ethyl-4-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone (CID 157465463) is [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2-chloro-3-ethyl-4-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone.

What is the SMILES notation for [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2-chloro-3-ethyl-4-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone?

The canonical SMILES for [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2-chloro-3-ethyl-4-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone is CCc1c(Cl)nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c1OC.CCc1c(OC)nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C)nc3)C3CN(C(C)=O)C3)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C1CCCC1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(CC(F)(F)F)c(Cl)c2c1.

What is the InChIKey of [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2-chloro-3-ethyl-4-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone?

The InChIKey is BUKOTLLTDVCDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN4O3.C26H28ClN5O2.C25H20ClF6N5O.2C21H23ClN6O2/c1-18-9-11-33(12-10-18)17-25-27(30)24-13-21(7-8-26(24)32-28(25)37-4)29(36,22-6-5-19(2)31-14-22)23-15-34(16-23)20(3)35;1-15-9-11-20(16(2)29-15)26(33,22-14-28-31-32(22)3)18-10-12-21-19(13-18)24(27)23(25(30-21)34-4)17-7-5-6-8-17;1-36-13-33-12-20(36)24(38,15-4-6-19(34-11-15)25(30,31)32)14-3-5-18-16(9-14)21(26)17(10-23(27,28)29)22(35-18)37-7-2-8-37;1-6-14-19(30-5)15-9-13(7-8-16(15)25-20(14)22)21(29,18-11-24-26-28(18)4)17-10-23-12(2)27(17)3;1-6-14-19(22)15-9-13(7-8-16(15)25-20(14)30-5)21(29,18-11-24-26-28(18)4)17-10-23-12(2)27(17)3/h5-8,13-14,18,23,36H,9-12,15-17H2,1-4H3;9-14,17,33H,5-8H2,1-4H3;3-6,9,11-13,38H,2,7-8,10H2,1H3;2*7-11,29H,6H2,1-5H3.

What are the key properties of [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2-chloro-3-ethyl-4-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone?

[2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2-chloro-3-ethyl-4-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone has a molecular weight of 2410.80 g/mol, XLogP of 20.99, 26 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-cyclopentyl-2-methoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2-chloro-3-ethyl-4-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 157465463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).