[2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

C128H129Cl6F8N25O12S — CID 158429120

About [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

[2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 158429120) has the molecular formula C128H129Cl6F8N25O12S and a molecular weight of 2606.37 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

• Compound Name: [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• PubChem CID: 158429120
• Molecular Formula: C128H129Cl6F8N25O12S
• Molecular Weight: 2606.37 g/mol
• Exact Mass: 2601.80
• IUPAC Name: [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• SMILES: C=C(c1c(OC)nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c1Cl)N1CCC(C(F)(F)F)CC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1OCC(C)(F)F.Cc1nc(C)c(C(O)(c2ccc3nc(N4CCC4)c(OC(C)C)c(Cl)c3c2)c2cnnn2C)s1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(OCC3CC3)c(Cl)c2c1
• InChI: InChI=1S/C29H30ClF3N6O2.C27H25ClF3N5O2.C24H21Cl2F2N3O3.C24H27ClN6O2S.C24H26ClN5O3/c1-16-6-8-22(17(2)35-16)28(40,24-15-34-37-38(24)4)20-7-9-23-21(14-20)26(30)25(27(36-23)41-5)18(3)39-12-10-19(11-13-39)29(31,32)33;1-35-15-32-13-22(35)26(37,18-6-8-21(33-12-18)27(29,30)31)17-5-7-20-19(11-17)23(28)24(38-14-16-3-4-16)25(34-20)36-9-2-10-36;1-23(27,28)12-34-21-20(26)17-10-15(6-9-18(17)30-22(21)33-3)24(32,19-11-29-13-31(19)2)14-4-7-16(25)8-5-14;1-13(2)33-21-20(25)17-11-16(7-8-18(17)28-23(21)31-9-6-10-31)24(32,19-12-26-29-30(19)5)22-14(3)27-15(4)34-22;1-13(2)33-22-21(25)17-11-16(8-10-19(17)28-23(22)32-6)24(31,20-12-26-29-30(20)5)18-9-7-14(3)27-15(18)4/h6-9,14-15,19,40H,3,10-13H2,1-2,4-5H3;5-8,11-13,15-16,37H,2-4,9-10,14H2,1H3;4-11,13,32H,12H2,1-3H3;7-8,11-13,32H,6,9-10H2,1-5H3;7-13,31H,1-6H3
• InChIKey: HBKYPADDJQTPGM-UHFFFAOYSA-N
• XLogP: 24.97
• TPSA: 419.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 32
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2606.37
LogP ≤ 5	24.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (CID 158429120) is [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

What is the SMILES notation for [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The canonical SMILES for [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is C=C(c1c(OC)nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c1Cl)N1CCC(C(F)(F)F)CC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1OCC(C)(F)F.Cc1nc(C)c(C(O)(c2ccc3nc(N4CCC4)c(OC(C)C)c(Cl)c3c2)c2cnnn2C)s1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(OCC3CC3)c(Cl)c2c1.

What is the InChIKey of [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The InChIKey is HBKYPADDJQTPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClF3N6O2.C27H25ClF3N5O2.C24H21Cl2F2N3O3.C24H27ClN6O2S.C24H26ClN5O3/c1-16-6-8-22(17(2)35-16)28(40,24-15-34-37-38(24)4)20-7-9-23-21(14-20)26(30)25(27(36-23)41-5)18(3)39-12-10-19(11-13-39)29(31,32)33;1-35-15-32-13-22(35)26(37,18-6-8-21(33-12-18)27(29,30)31)17-5-7-20-19(11-17)23(28)24(38-14-16-3-4-16)25(34-20)36-9-2-10-36;1-23(27,28)12-34-21-20(26)17-10-15(6-9-18(17)30-22(21)33-3)24(32,19-11-29-13-31(19)2)14-4-7-16(25)8-5-14;1-13(2)33-21-20(25)17-11-16(7-8-18(17)28-23(21)31-9-6-10-31)24(32,19-12-26-29-30(19)5)22-14(3)27-15(4)34-22;1-13(2)33-22-21(25)17-11-16(8-10-19(17)28-23(22)32-6)24(31,20-12-26-29-30(20)5)18-9-7-14(3)27-15(18)4/h6-9,14-15,19,40H,3,10-13H2,1-2,4-5H3;5-8,11-13,15-16,37H,2-4,9-10,14H2,1H3;4-11,13,32H,12H2,1-3H3;7-8,11-13,32H,6,9-10H2,1-5H3;7-13,31H,1-6H3.

What are the key properties of [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

[2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 2606.37 g/mol, XLogP of 24.97, 32 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 158429120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).