[6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[(2R)-3-fluoro-2-(4-methylphenyl)propyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine

C126H133ClF8N28O6 — CID 159339528

IUPAC[6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[(2R)-3-fluoro-2-(4-methylphenyl)propyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine
SMILESC.COc1nc(-c2cc(C)c(C[C@@H](CC(F)(F)F)c3ccc(C)cc3)nn2)ccc1-n1cnc(C)c1.COc1nc(-c2cc(C)c(C[C@@H](CF)c3ccc(C)cc3)nn2)ccc1-n1cnc(C)c1.Cc1ccc([C@@H](C)Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)c(Cl)c1.Cc1ccc([C@@H](Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)C(C)(C)O)cc1.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)c4cccc(C(F)(F)F)c4F)nn3)nc2CO)cn1
InChIInChI=1S/C26H26F3N5O.C26H30N6O2.C25H26FN5O.C24H25ClN6O.C24H22F4N6O.CH4/c1-16-5-7-19(8-6-16)20(13-26(27,28)29)12-22-17(2)11-23(33-32-22)21-9-10-24(25(31-21)35-4)34-14-18(3)30-15-34;1-16-6-8-19(9-7-16)24(26(4,5)34)29-25-17(2)12-21(30-31-25)20-10-11-23(22(14-33)28-20)32-13-18(3)27-15-32;1-16-5-7-19(8-6-16)20(13-26)12-22-17(2)11-23(30-29-22)21-9-10-24(25(28-21)32-4)31-14-18(3)27-15-31;1-14-5-6-18(19(25)9-14)17(4)27-24-15(2)10-21(29-30-24)20-7-8-23(22(12-32)28-20)31-11-16(3)26-13-31;1-13-9-19(18-7-8-21(20(11-35)31-18)34-10-14(2)29-12-34)32-33-23(13)30-15(3)16-5-4-6-17(22(16)25)24(26,27)28;/h5-11,14-15,20H,12-13H2,1-4H3;6-13,15,24,33-34H,14H2,1-5H3,(H,29,31);5-11,14-15,20H,12-13H2,1-4H3;5-11,13,17,32H,12H2,1-4H3,(H,27,30);4-10,12,15,35H,11H2,1-3H3,(H,30,33);1H4/t20-;24-;20-;17-;15-;/m01010./s1
InChIKeyLFYSKLWQAQVOHW-WKKFUTRVSA-N
MW2323.08 g/mol
LogP25.73
Rot. Bonds33

About [6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[(2R)-3-fluoro-2-(4-methylphenyl)propyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine

[6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[(2R)-3-fluoro-2-(4-methylphenyl)propyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine (PubChem CID 159339528) has the molecular formula C126H133ClF8N28O6 and a molecular weight of 2323.08 g/mol. Its IUPAC name is [6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[(2R)-3-fluoro-2-(4-methylphenyl)propyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine.

Molecular Properties

Compound Name[6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[(2R)-3-fluoro-2-(4-methylphenyl)propyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine
PubChem CID159339528
Molecular FormulaC126H133ClF8N28O6
Molecular Weight2323.08 g/mol
Exact Mass2321.05
IUPAC Name[6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[(2R)-3-fluoro-2-(4-methylphenyl)propyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine
SMILESC.COc1nc(-c2cc(C)c(C[C@@H](CC(F)(F)F)c3ccc(C)cc3)nn2)ccc1-n1cnc(C)c1.COc1nc(-c2cc(C)c(C[C@@H](CF)c3ccc(C)cc3)nn2)ccc1-n1cnc(C)c1.Cc1ccc([C@@H](C)Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)c(Cl)c1.Cc1ccc([C@@H](Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)C(C)(C)O)cc1.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)c4cccc(C(F)(F)F)c4F)nn3)nc2CO)cn1
InChIInChI=1S/C26H26F3N5O.C26H30N6O2.C25H26FN5O.C24H25ClN6O.C24H22F4N6O.CH4/c1-16-5-7-19(8-6-16)20(13-26(27,28)29)12-22-17(2)11-23(33-32-22)21-9-10-24(25(31-21)35-4)34-14-18(3)30-15-34;1-16-6-8-19(9-7-16)24(26(4,5)34)29-25-17(2)12-21(30-31-25)20-10-11-23(22(14-33)28-20)32-13-18(3)27-15-32;1-16-5-7-19(8-6-16)20(13-26)12-22-17(2)11-23(30-29-22)21-9-10-24(25(28-21)32-4)31-14-18(3)27-15-31;1-14-5-6-18(19(25)9-14)17(4)27-24-15(2)10-21(29-30-24)20-7-8-23(22(12-32)28-20)31-11-16(3)26-13-31;1-13-9-19(18-7-8-21(20(11-35)31-18)34-10-14(2)29-12-34)32-33-23(13)30-15(3)16-5-4-6-17(22(16)25)24(26,27)28;/h5-11,14-15,20H,12-13H2,1-4H3;6-13,15,24,33-34H,14H2,1-5H3,(H,29,31);5-11,14-15,20H,12-13H2,1-4H3;5-11,13,17,32H,12H2,1-4H3,(H,27,30);4-10,12,15,35H,11H2,1-3H3,(H,30,33);1H4/t20-;24-;20-;17-;15-;/m01010./s1
InChIKeyLFYSKLWQAQVOHW-WKKFUTRVSA-N
XLogP25.73
TPSA417.92 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds33
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002323.08
LogP ≤ 525.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Analyze [6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[(2R)-3-fluoro-2-(4-methylphenyl)propyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine with MolForge

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Launch Full Analysis

Related Compounds

[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
3-Benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;[4-chloro-2-(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-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-(3-fluoro-3-methylazetidin-1-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 157129522
[6-[5-chloro-6-[(2R)-2-(4-methylphenyl)propyl]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[5-fluoro-6-[(2R)-2-(4-methylphenyl)propyl]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-3-[(2R)-2-(4-methylphenyl)propyl]pyridazine-4-carbonitrile;3-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]methyl]-1,6-dimethylindole;3-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]methyl]-6-methyl-1H-indole;[3-(4-methylimidazol-1-yl)-6-[6-[(2R)-2-(4-methylphenyl)propyl]-5-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]methanol
CID 157187525
[4-Chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-1,2-dihydropyridin-3-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-1,2-dihydropyridin-3-yl)methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]methanol
CID 157403172
[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-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-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;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile
CID 157673337
[4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[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;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 157785261
[6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(2-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 157831885
[4-chloro-3-[(2,2-difluoropentan-3-ylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2,2-difluoropropyl(methyl)amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 157987148
[6-[6-[(4,4-difluorocyclohexyl)amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2-fluorophenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(3S)-3-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-3-(4-methylphenyl)propan-1-ol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(4-methylphenyl)propyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 157997137
[6-[6-[[(1S)-1-(3,5-difluoro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-(4-fluorophenyl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 158050810
[4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[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;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 158138339
[4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[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;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
CID 158270317

Frequently Asked Questions

What is the IUPAC name of [6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[(2R)-3-fluoro-2-(4-methylphenyl)propyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine?
The IUPAC name of [6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[(2R)-3-fluoro-2-(4-methylphenyl)propyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine (CID 159339528) is [6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[(2R)-3-fluoro-2-(4-methylphenyl)propyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine.
What is the SMILES notation for [6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[(2R)-3-fluoro-2-(4-methylphenyl)propyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine?
The canonical SMILES for [6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[(2R)-3-fluoro-2-(4-methylphenyl)propyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine is C.COc1nc(-c2cc(C)c(C[C@@H](CC(F)(F)F)c3ccc(C)cc3)nn2)ccc1-n1cnc(C)c1.COc1nc(-c2cc(C)c(C[C@@H](CF)c3ccc(C)cc3)nn2)ccc1-n1cnc(C)c1.Cc1ccc([C@@H](C)Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)c(Cl)c1.Cc1ccc([C@@H](Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)C(C)(C)O)cc1.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)c4cccc(C(F)(F)F)c4F)nn3)nc2CO)cn1.
What is the InChIKey of [6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[(2R)-3-fluoro-2-(4-methylphenyl)propyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine?
The InChIKey is LFYSKLWQAQVOHW-WKKFUTRVSA-N. The full InChI is InChI=1S/C26H26F3N5O.C26H30N6O2.C25H26FN5O.C24H25ClN6O.C24H22F4N6O.CH4/c1-16-5-7-19(8-6-16)20(13-26(27,28)29)12-22-17(2)11-23(33-32-22)21-9-10-24(25(31-21)35-4)34-14-18(3)30-15-34;1-16-6-8-19(9-7-16)24(26(4,5)34)29-25-17(2)12-21(30-31-25)20-10-11-23(22(14-33)28-20)32-13-18(3)27-15-32;1-16-5-7-19(8-6-16)20(13-26)12-22-17(2)11-23(30-29-22)21-9-10-24(25(28-21)32-4)31-14-18(3)27-15-31;1-14-5-6-18(19(25)9-14)17(4)27-24-15(2)10-21(29-30-24)20-7-8-23(22(12-32)28-20)31-11-16(3)26-13-31;1-13-9-19(18-7-8-21(20(11-35)31-18)34-10-14(2)29-12-34)32-33-23(13)30-15(3)16-5-4-6-17(22(16)25)24(26,27)28;/h5-11,14-15,20H,12-13H2,1-4H3;6-13,15,24,33-34H,14H2,1-5H3,(H,29,31);5-11,14-15,20H,12-13H2,1-4H3;5-11,13,17,32H,12H2,1-4H3,(H,27,30);4-10,12,15,35H,11H2,1-3H3,(H,30,33);1H4/t20-;24-;20-;17-;15-;/m01010./s1.
What are the key properties of [6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[(2R)-3-fluoro-2-(4-methylphenyl)propyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine?
[6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[(2R)-3-fluoro-2-(4-methylphenyl)propyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine has a molecular weight of 2323.08 g/mol, XLogP of 25.73, 33 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[(2R)-3-fluoro-2-(4-methylphenyl)propyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine is sourced from PubChem (CID 159339528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).