azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)methanol;[2,4-bis[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;tert-butyl 3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-hydroxymethyl]azetidine-1-carboxylate;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol

C123H118Cl4F7N23O10 — CID 157083889

About azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)methanol;[2,4-bis[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;tert-butyl 3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-hydroxymethyl]azetidine-1-carboxylate;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol

azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)methanol;[2,4-bis[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;tert-butyl 3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-hydroxymethyl]azetidine-1-carboxylate;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol (PubChem CID 157083889) has the molecular formula C123H118Cl4F7N23O10 and a molecular weight of 2353.25 g/mol. Its IUPAC name is azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)methanol;[2,4-bis[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;tert-butyl 3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-hydroxymethyl]azetidine-1-carboxylate;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol.

Molecular Properties

• Compound Name: azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)methanol;[2,4-bis[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;tert-butyl 3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-hydroxymethyl]azetidine-1-carboxylate;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol
• PubChem CID: 157083889
• Molecular Formula: C123H118Cl4F7N23O10
• Molecular Weight: 2353.25 g/mol
• Exact Mass: 2349.81
• IUPAC Name: azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)methanol;[2,4-bis[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;tert-butyl 3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-hydroxymethyl]azetidine-1-carboxylate;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol
• SMILES: CON(C)c1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(N(C)OC)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)C3CN(C(=O)OC(C)(C)C)C3)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3cnnn3C)C3CNC3)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.Cn1cncc1C(O)(c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1)c1ncccn1
• InChI: InChI=1S/C35H38ClF2N3O4.C34H33F3N8O3.C28H21Cl2N7O.C26H26ClF2N5O2/c1-20-8-14-28(21(2)39-20)35(43,25-18-41(19-25)32(42)45-33(3,4)5)24-13-15-29-26(17-24)30(36)27(31(40-29)44-7)16-22-9-11-23(12-10-22)34(6,37)38;1-42-21-38-20-30(42)33(46,24-10-14-29(39-19-24)34(35,36)37)23-9-13-28-26(18-23)31(43(2)47-4)27(32(41-28)44(3)48-5)17-22-7-11-25(12-8-22)45-16-6-15-40-45;1-36-17-31-16-24(36)28(38,27-32-10-2-11-33-27)19-6-9-23-21(15-19)25(29)22(26(30)35-23)14-18-4-7-20(8-5-18)37-13-3-12-34-37;1-25(28,29)16-6-4-15(5-7-16)10-20-23(27)19-11-17(8-9-21(19)32-24(20)36-3)26(35,18-12-30-13-18)22-14-31-33-34(22)2/h8-15,17,25,43H,16,18-19H2,1-7H3;6-16,18-21,46H,17H2,1-5H3;2-13,15-17,38H,14H2,1H3;4-9,11,14,18,30,35H,10,12-13H2,1-3H3
• InChIKey: ADWDRPGETMHBHN-UHFFFAOYSA-N
• XLogP: 22.46
• TPSA: 371.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2353.25
LogP ≤ 5	22.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)methanol;[2,4-bis[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;tert-butyl 3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-hydroxymethyl]azetidine-1-carboxylate;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol?

The IUPAC name of azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)methanol;[2,4-bis[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;tert-butyl 3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-hydroxymethyl]azetidine-1-carboxylate;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol (CID 157083889) is azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)methanol;[2,4-bis[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;tert-butyl 3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-hydroxymethyl]azetidine-1-carboxylate;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol.

What is the SMILES notation for azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)methanol;[2,4-bis[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;tert-butyl 3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-hydroxymethyl]azetidine-1-carboxylate;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol?

The canonical SMILES for azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)methanol;[2,4-bis[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;tert-butyl 3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-hydroxymethyl]azetidine-1-carboxylate;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol is CON(C)c1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(N(C)OC)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)C3CN(C(=O)OC(C)(C)C)C3)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3cnnn3C)C3CNC3)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.Cn1cncc1C(O)(c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1)c1ncccn1.

What is the InChIKey of azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)methanol;[2,4-bis[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;tert-butyl 3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-hydroxymethyl]azetidine-1-carboxylate;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol?

The InChIKey is ADWDRPGETMHBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38ClF2N3O4.C34H33F3N8O3.C28H21Cl2N7O.C26H26ClF2N5O2/c1-20-8-14-28(21(2)39-20)35(43,25-18-41(19-25)32(42)45-33(3,4)5)24-13-15-29-26(17-24)30(36)27(31(40-29)44-7)16-22-9-11-23(12-10-22)34(6,37)38;1-42-21-38-20-30(42)33(46,24-10-14-29(39-19-24)34(35,36)37)23-9-13-28-26(18-23)31(43(2)47-4)27(32(41-28)44(3)48-5)17-22-7-11-25(12-8-22)45-16-6-15-40-45;1-36-17-31-16-24(36)28(38,27-32-10-2-11-33-27)19-6-9-23-21(15-19)25(29)22(26(30)35-23)14-18-4-7-20(8-5-18)37-13-3-12-34-37;1-25(28,29)16-6-4-15(5-7-16)10-20-23(27)19-11-17(8-9-21(19)32-24(20)36-3)26(35,18-12-30-13-18)22-14-31-33-34(22)2/h8-15,17,25,43H,16,18-19H2,1-7H3;6-16,18-21,46H,17H2,1-5H3;2-13,15-17,38H,14H2,1H3;4-9,11,14,18,30,35H,10,12-13H2,1-3H3.

What are the key properties of azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)methanol;[2,4-bis[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;tert-butyl 3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-hydroxymethyl]azetidine-1-carboxylate;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol?

azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)methanol;[2,4-bis[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;tert-butyl 3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-hydroxymethyl]azetidine-1-carboxylate;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol has a molecular weight of 2353.25 g/mol, XLogP of 22.46, 30 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)methanol;[2,4-bis[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;tert-butyl 3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-hydroxymethyl]azetidine-1-carboxylate;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol is sourced from PubChem (CID 157083889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).