[6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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

C99H105ClF4N24O5 — CID 159330188

IUPAC[6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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
SMILESCc1ccc([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.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)c4cccc(C)c4C)nn3)nc2CO)cn1
InChIInChI=1S/C26H30N6O2.C25H28N6O.C24H25ClN6O.C24H22F4N6O/c1-16-6-8-19(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;1-15-7-6-8-20(18(15)4)19(5)27-25-16(2)11-22(29-30-25)21-9-10-24(23(13-32)28-21)31-12-17(3)26-14-31;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/h6-13,15,24,33-34H,14H2,1-5H3,(H,29,31);6-12,14,19,32H,13H2,1-5H3,(H,27,30);5-11,13,17,32H,12H2,1-4H3,(H,27,30);4-10,12,15,35H,11H2,1-3H3,(H,30,33)/t24-;19-;17-;15-/m1010/s1
InChIKeyLEWLSLYWXQEWPU-VNXIMYGSSA-N
MW1822.54 g/mol
LogP18.82
Rot. Bonds25

About [6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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

[6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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 (PubChem CID 159330188) has the molecular formula C99H105ClF4N24O5 and a molecular weight of 1822.54 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;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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.

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;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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
PubChem CID159330188
Molecular FormulaC99H105ClF4N24O5
Molecular Weight1822.54 g/mol
Exact Mass1820.83
IUPAC Name[6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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
SMILESCc1ccc([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.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)c4cccc(C)c4C)nn3)nc2CO)cn1
InChIInChI=1S/C26H30N6O2.C25H28N6O.C24H25ClN6O.C24H22F4N6O/c1-16-6-8-19(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;1-15-7-6-8-20(18(15)4)19(5)27-25-16(2)11-22(29-30-25)21-9-10-24(23(13-32)28-21)31-12-17(3)26-14-31;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/h6-13,15,24,33-34H,14H2,1-5H3,(H,29,31);6-12,14,19,32H,13H2,1-5H3,(H,27,30);5-11,13,17,32H,12H2,1-4H3,(H,27,30);4-10,12,15,35H,11H2,1-3H3,(H,30,33)/t24-;19-;17-;15-/m1010/s1
InChIKeyLEWLSLYWXQEWPU-VNXIMYGSSA-N
XLogP18.82
TPSA375.23 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001822.54
LogP ≤ 518.82
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze [6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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 with MolForge

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Related Compounds

1,1-Difluoro-2-(2-fluorophenyl)-3-(tetrazol-1-yl)-1-[5-[4-[4-[6-[4-(2,2,2-trifluoro-1-hydroxyethyl)triazol-1-yl]-3-pyridinyl]piperazin-1-yl]phenyl]-2-pyridinyl]propan-2-ol;methanamine;methane;2,2,2-trifluoro-1-[1-[5-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazin-1-yl]-2-pyridinyl]triazol-4-yl]ethanol
CID 157417014
[2-[(1S)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]ethyl]phenyl]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-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 157434628
[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
[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
[6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-[(1S)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]propyl]benzonitrile;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 158291874
[6-[6-(cyclohexylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;3-[[(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclopropyl]methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;(2S)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;methane;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(4-methylphenyl)propyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 158620752
[6-[6-[[(1S)-1-(3,4-difluoro-5-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-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 158647820
[6-[5-chloro-6-[(2R)-2-(4-methylphenyl)propyl]pyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[4-ethyl-6-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]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-(4-methylimidazol-1-yl)-6-[4-[(2R)-2-(4-methylphenyl)propyl]-5,6,7,8-tetrahydrophthalazin-1-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[6-[(2R)-2-(4-methylphenyl)propyl]-5-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]methanol
CID 159158260
[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
[6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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
CID 159574504
[6-[6-(cyclohexylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2S)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(4-methylphenyl)butyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 159647145

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;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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?
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;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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 (CID 159330188) is [6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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.
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;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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?
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;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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 is 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.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)c4cccc(C)c4C)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;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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?
The InChIKey is LEWLSLYWXQEWPU-VNXIMYGSSA-N. The full InChI is InChI=1S/C26H30N6O2.C25H28N6O.C24H25ClN6O.C24H22F4N6O/c1-16-6-8-19(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;1-15-7-6-8-20(18(15)4)19(5)27-25-16(2)11-22(29-30-25)21-9-10-24(23(13-32)28-21)31-12-17(3)26-14-31;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/h6-13,15,24,33-34H,14H2,1-5H3,(H,29,31);6-12,14,19,32H,13H2,1-5H3,(H,27,30);5-11,13,17,32H,12H2,1-4H3,(H,27,30);4-10,12,15,35H,11H2,1-3H3,(H,30,33)/t24-;19-;17-;15-/m1010/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;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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?
[6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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 has a molecular weight of 1822.54 g/mol, XLogP of 18.82, 25 rotatable bonds, 9 hydrogen bond donors, and 29 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;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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 is sourced from PubChem (CID 159330188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).