[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2-chloro-4-(cyclopropylamino)-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]-2-pyrrolidin-1-ylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

C126H113Cl5F10N24O4 — CID 158473826

About [2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2-chloro-4-(cyclopropylamino)-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]-2-pyrrolidin-1-ylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2-chloro-4-(cyclopropylamino)-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]-2-pyrrolidin-1-ylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 158473826) has the molecular formula C126H113Cl5F10N24O4 and a molecular weight of 2394.70 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2-chloro-4-(cyclopropylamino)-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]-2-pyrrolidin-1-ylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

• Compound Name: [2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2-chloro-4-(cyclopropylamino)-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]-2-pyrrolidin-1-ylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• PubChem CID: 158473826
• Molecular Formula: C126H113Cl5F10N24O4
• Molecular Weight: 2394.70 g/mol
• Exact Mass: 2390.77
• IUPAC Name: [2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2-chloro-4-(cyclopropylamino)-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]-2-pyrrolidin-1-ylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• SMILES: Cc1ccc(C(O)(c2ccc3nc(Cl)c(Cc4ccc(C(C)(F)F)cc4)c(Cl)c3c2)c2cnnn2C)c(C)n1.Cc1ccc(C(O)(c2ccc3nc(Cl)c(Cc4ccc(C(C)(F)F)cc4)c(NC4CC4)c3c2)c2cnnn2C)c(C)n1.Cc1ccc(C(O)(c2ccc3nc(N4CCC4)c(Cc4ccc(C(F)(F)F)cc4)c(Cl)c3c2)c2cnnn2C)c(C)n1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCCC3)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1
• InChI: InChI=1S/C34H29ClF3N7O.C32H31ClF2N6O.C31H28ClF3N6O.C29H25Cl2F2N5O/c1-43-21-39-20-30(43)33(46,24-8-12-29(40-19-24)34(36,37)38)23-7-11-28-26(18-23)31(35)27(32(42-28)44-14-2-3-15-44)17-22-5-9-25(10-6-22)45-16-4-13-41-45;1-18-5-13-26(19(2)37-18)32(42,28-17-36-40-41(28)4)22-10-14-27-24(16-22)29(38-23-11-12-23)25(30(33)39-27)15-20-6-8-21(9-7-20)31(3,34)35;1-18-5-11-25(19(2)37-18)30(42,27-17-36-39-40(27)3)22-10-12-26-23(16-22)28(32)24(29(38-26)41-13-4-14-41)15-20-6-8-21(9-7-20)31(33,34)35;1-16-5-11-23(17(2)35-16)29(39,25-15-34-37-38(25)4)20-10-12-24-21(14-20)26(30)22(27(31)36-24)13-18-6-8-19(9-7-18)28(3,32)33/h4-13,16,18-21,46H,2-3,14-15,17H2,1H3;5-10,13-14,16-17,23,42H,11-12,15H2,1-4H3,(H,38,39);5-12,16-17,42H,4,13-15H2,1-3H3;5-12,14-15,39H,13H2,1-4H3
• InChIKey: HGRKWZBYAUBOGR-UHFFFAOYSA-N
• XLogP: 26.09
• TPSA: 330.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2394.70
LogP ≤ 5	26.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

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-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2-chloro-4-(cyclopropylamino)-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]-2-pyrrolidin-1-ylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2-chloro-4-(cyclopropylamino)-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]-2-pyrrolidin-1-ylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (CID 158473826) is [2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2-chloro-4-(cyclopropylamino)-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]-2-pyrrolidin-1-ylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]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-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2-chloro-4-(cyclopropylamino)-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]-2-pyrrolidin-1-ylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The canonical SMILES for [2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2-chloro-4-(cyclopropylamino)-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]-2-pyrrolidin-1-ylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is Cc1ccc(C(O)(c2ccc3nc(Cl)c(Cc4ccc(C(C)(F)F)cc4)c(Cl)c3c2)c2cnnn2C)c(C)n1.Cc1ccc(C(O)(c2ccc3nc(Cl)c(Cc4ccc(C(C)(F)F)cc4)c(NC4CC4)c3c2)c2cnnn2C)c(C)n1.Cc1ccc(C(O)(c2ccc3nc(N4CCC4)c(Cc4ccc(C(F)(F)F)cc4)c(Cl)c3c2)c2cnnn2C)c(C)n1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCCC3)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1.

What is the InChIKey of [2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2-chloro-4-(cyclopropylamino)-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]-2-pyrrolidin-1-ylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The InChIKey is HGRKWZBYAUBOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29ClF3N7O.C32H31ClF2N6O.C31H28ClF3N6O.C29H25Cl2F2N5O/c1-43-21-39-20-30(43)33(46,24-8-12-29(40-19-24)34(36,37)38)23-7-11-28-26(18-23)31(35)27(32(42-28)44-14-2-3-15-44)17-22-5-9-25(10-6-22)45-16-4-13-41-45;1-18-5-13-26(19(2)37-18)32(42,28-17-36-40-41(28)4)22-10-14-27-24(16-22)29(38-23-11-12-23)25(30(33)39-27)15-20-6-8-21(9-7-20)31(3,34)35;1-18-5-11-25(19(2)37-18)30(42,27-17-36-39-40(27)3)22-10-12-26-23(16-22)28(32)24(29(38-26)41-13-4-14-41)15-20-6-8-21(9-7-20)31(33,34)35;1-16-5-11-23(17(2)35-16)29(39,25-15-34-37-38(25)4)20-10-12-24-21(14-20)26(30)22(27(31)36-24)13-18-6-8-19(9-7-18)28(3,32)33/h4-13,16,18-21,46H,2-3,14-15,17H2,1H3;5-10,13-14,16-17,23,42H,11-12,15H2,1-4H3,(H,38,39);5-12,16-17,42H,4,13-15H2,1-3H3;5-12,14-15,39H,13H2,1-4H3.

What are the key properties of [2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2-chloro-4-(cyclopropylamino)-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]-2-pyrrolidin-1-ylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2-chloro-4-(cyclopropylamino)-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]-2-pyrrolidin-1-ylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 2394.70 g/mol, XLogP of 26.09, 27 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2-chloro-4-(cyclopropylamino)-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]-2-pyrrolidin-1-ylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 158473826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).