[2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile

C157H124Cl6F3N31O8 — CID 157111385

IUPAC[2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile
SMILESCOc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cncn2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C#N)cc1.Cc1cc(C(O)(c2ccc(C(F)(F)F)nc2)c2cncn2C)cc2c(C#N)c(Cc3ccc(-n4cccn4)cc3)c(C#N)nc12.Cc1ccc(C(O)(c2ccc3nc(N4CCC4)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)c2cncn2C)cn1
InChIInChI=1S/C33H30ClN7O.C33H23F3N8O.C32H25ClN6O2.C30H24Cl2N6O2.C29H22Cl2N4O2/c1-22-5-8-25(19-36-22)33(42,30-20-35-21-39(30)2)24-9-12-29-27(18-24)31(34)28(32(38-29)40-14-4-15-40)17-23-6-10-26(11-7-23)41-16-3-13-37-41;1-20-12-23(32(45,30-18-39-19-43(30)2)22-6-9-29(40-17-22)33(34,35)36)14-26-27(15-37)25(28(16-38)42-31(20)26)13-21-4-7-24(8-5-21)44-11-3-10-41-44;1-38-20-35-19-30(38)32(40,22-6-9-24(33)10-7-22)23-8-13-29-26(17-23)28(18-34)27(31(37-29)41-2)16-21-4-11-25(12-5-21)39-15-3-14-36-39;1-37-17-33-15-27(37)30(39,20-5-8-22(31)9-6-20)21-7-12-26-24(14-21)28(32)25(29(36-26)40-2)13-19-3-10-23(11-4-19)38-18-34-16-35-38;1-35-17-33-16-26(35)29(36,20-7-10-22(30)11-8-20)21-9-12-25-23(14-21)27(31)24(28(34-25)37-2)13-18-3-5-19(15-32)6-4-18/h3,5-13,16,18-21,42H,4,14-15,17H2,1-2H3;3-12,14,17-19,45H,13H2,1-2H3;3-15,17,19-20,40H,16H2,1-2H3;3-12,14-18,39H,13H2,1-2H3;3-12,14,16-17,36H,13H2,1-2H3
InChIKeyAGWVZKNHEJKFMH-UHFFFAOYSA-N
MW2842.64 g/mol
LogP28.42
Rot. Bonds33

About [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile

[2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile (PubChem CID 157111385) has the molecular formula C157H124Cl6F3N31O8 and a molecular weight of 2842.64 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile.

Molecular Properties

Compound Name[2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile
PubChem CID157111385
Molecular FormulaC157H124Cl6F3N31O8
Molecular Weight2842.64 g/mol
Exact Mass2837.83
IUPAC Name[2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile
SMILESCOc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cncn2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C#N)cc1.Cc1cc(C(O)(c2ccc(C(F)(F)F)nc2)c2cncn2C)cc2c(C#N)c(Cc3ccc(-n4cccn4)cc3)c(C#N)nc12.Cc1ccc(C(O)(c2ccc3nc(N4CCC4)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)c2cncn2C)cn1
InChIInChI=1S/C33H30ClN7O.C33H23F3N8O.C32H25ClN6O2.C30H24Cl2N6O2.C29H22Cl2N4O2/c1-22-5-8-25(19-36-22)33(42,30-20-35-21-39(30)2)24-9-12-29-27(18-24)31(34)28(32(38-29)40-14-4-15-40)17-23-6-10-26(11-7-23)41-16-3-13-37-41;1-20-12-23(32(45,30-18-39-19-43(30)2)22-6-9-29(40-17-22)33(34,35)36)14-26-27(15-37)25(28(16-38)42-31(20)26)13-21-4-7-24(8-5-21)44-11-3-10-41-44;1-38-20-35-19-30(38)32(40,22-6-9-24(33)10-7-22)23-8-13-29-26(17-23)28(18-34)27(31(37-29)41-2)16-21-4-11-25(12-5-21)39-15-3-14-36-39;1-37-17-33-15-27(37)30(39,20-5-8-22(31)9-6-20)21-7-12-26-24(14-21)28(32)25(29(36-26)40-2)13-19-3-10-23(11-4-19)38-18-34-16-35-38;1-35-17-33-16-26(35)29(36,20-7-10-22(30)11-8-20)21-9-12-25-23(14-21)27(31)24(28(34-25)37-2)13-18-3-5-19(15-32)6-4-18/h3,5-13,16,18-21,42H,4,14-15,17H2,1-2H3;3-12,14,17-19,45H,13H2,1-2H3;3-15,17,19-20,40H,16H2,1-2H3;3-12,14-18,39H,13H2,1-2H3;3-12,14,16-17,36H,13H2,1-2H3
InChIKeyAGWVZKNHEJKFMH-UHFFFAOYSA-N
XLogP28.42
TPSA490.74 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds33
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002842.64
LogP ≤ 528.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Analyze [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile with MolForge

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Related Compounds

6-[(4-Chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile
CID 74221075
[4-Chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 118031243
[3-[[[3-[[6-[Bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]quinolin-2-yl]oxymethyl]-5-(trifluoromethyl)cyclohexyl]amino]methyl]-4-chloro-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 129035502
2-[[1-[4-[[4-Chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(2-methoxyethoxy)quinolin-3-yl]methyl]phenyl]pyrazol-3-yl]methoxy]-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile
CID 146259702
Azetidin-3-yl-[4-chloro-2-[[1-[4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-[2-methoxyethyl(methyl)amino]quinolin-3-yl]methyl]phenyl]pyrazol-3-yl]methoxy]-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethylpyridin-3-yl)methanol
CID 146259769
[4-Chloro-3-[[4-[4-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]oxymethyl]pyrazol-1-yl]phenyl]methyl]-2-(dimethylamino)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 146259770
[4-Chloro-3-[[4-[3-[[4-chloro-3-[[4-(3,4-dihydropyrazol-2-yl)phenyl]methyl]-6-[hydroxy-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethyl]quinolin-2-yl]oxymethyl]pyrazol-1-yl]phenyl]methyl]-2-(dimethylamino)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 146259870
2-[[2-[4-[[4-Chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(2-methoxyethoxy)quinolin-3-yl]methyl]phenyl]-3,4-dihydropyrazol-5-yl]methoxy]-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile
CID 146259873
[4-Chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-[(3-methylazetidin-1-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(1-methylsulfonylazetidin-3-yl)-(3-methyltriazol-4-yl)methanol
CID 157061409
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
[4-chloro-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;4-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(trifluoromethyl)quinoline-4-carbonitrile
CID 157092117
[2-(Azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-ethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 157105416

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile?
The IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile (CID 157111385) is [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile.
What is the SMILES notation for [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile?
The canonical SMILES for [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile is COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cncn2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C#N)cc1.Cc1cc(C(O)(c2ccc(C(F)(F)F)nc2)c2cncn2C)cc2c(C#N)c(Cc3ccc(-n4cccn4)cc3)c(C#N)nc12.Cc1ccc(C(O)(c2ccc3nc(N4CCC4)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)c2cncn2C)cn1.
What is the InChIKey of [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile?
The InChIKey is AGWVZKNHEJKFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30ClN7O.C33H23F3N8O.C32H25ClN6O2.C30H24Cl2N6O2.C29H22Cl2N4O2/c1-22-5-8-25(19-36-22)33(42,30-20-35-21-39(30)2)24-9-12-29-27(18-24)31(34)28(32(38-29)40-14-4-15-40)17-23-6-10-26(11-7-23)41-16-3-13-37-41;1-20-12-23(32(45,30-18-39-19-43(30)2)22-6-9-29(40-17-22)33(34,35)36)14-26-27(15-37)25(28(16-38)42-31(20)26)13-21-4-7-24(8-5-21)44-11-3-10-41-44;1-38-20-35-19-30(38)32(40,22-6-9-24(33)10-7-22)23-8-13-29-26(17-23)28(18-34)27(31(37-29)41-2)16-21-4-11-25(12-5-21)39-15-3-14-36-39;1-37-17-33-15-27(37)30(39,20-5-8-22(31)9-6-20)21-7-12-26-24(14-21)28(32)25(29(36-26)40-2)13-19-3-10-23(11-4-19)38-18-34-16-35-38;1-35-17-33-16-26(35)29(36,20-7-10-22(30)11-8-20)21-9-12-25-23(14-21)27(31)24(28(34-25)37-2)13-18-3-5-19(15-32)6-4-18/h3,5-13,16,18-21,42H,4,14-15,17H2,1-2H3;3-12,14,17-19,45H,13H2,1-2H3;3-15,17,19-20,40H,16H2,1-2H3;3-12,14-18,39H,13H2,1-2H3;3-12,14,16-17,36H,13H2,1-2H3.
What are the key properties of [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile?
[2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile has a molecular weight of 2842.64 g/mol, XLogP of 28.42, 33 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile is sourced from PubChem (CID 157111385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).