[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

C96H107F3N24O5 — CID 159647145

IUPAC[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
SMILESCCC[C@H](Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C)c1ccc(C)cc1.Cc1ccc([C@@H](CO)Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)cc1.Cc1ccc([C@H](C)Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)c(C(F)(F)F)c1.Cc1cn(-c2ccc(-c3cc(C)c(NC4CCCCC4)nn3)nc2CO)cn1
InChIInChI=1S/C26H30N6O.C25H25F3N6O.C24H26N6O2.C21H26N6O/c1-5-6-21(20-9-7-17(2)8-10-20)29-26-18(3)13-23(30-31-26)22-11-12-25(24(15-33)28-22)32-14-19(4)27-16-32;1-14-5-6-18(19(9-14)25(26,27)28)17(4)30-24-15(2)10-21(32-33-24)20-7-8-23(22(12-35)31-20)34-11-16(3)29-13-34;1-15-4-6-18(7-5-15)21(12-31)27-24-16(2)10-20(28-29-24)19-8-9-23(22(13-32)26-19)30-11-17(3)25-14-30;1-14-10-18(25-26-21(14)23-16-6-4-3-5-7-16)17-8-9-20(19(12-28)24-17)27-11-15(2)22-13-27/h7-14,16,21,33H,5-6,15H2,1-4H3,(H,29,31);5-11,13,17,35H,12H2,1-4H3,(H,30,33);4-11,14,21,31-32H,12-13H2,1-3H3,(H,27,29);8-11,13,16,28H,3-7,12H2,1-2H3,(H,23,26)/t21-;17-;21-;/m001./s1
InChIKeyMRCFKXYFUCLWKS-ZQLJCHBISA-N
MW1734.07 g/mol
LogP17.29
Rot. Bonds26

About [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

[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 (PubChem CID 159647145) has the molecular formula C96H107F3N24O5 and a molecular weight of 1734.07 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID159647145
Molecular FormulaC96H107F3N24O5
Molecular Weight1734.07 g/mol
Exact Mass1732.88
IUPAC Name[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
SMILESCCC[C@H](Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C)c1ccc(C)cc1.Cc1ccc([C@@H](CO)Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)cc1.Cc1ccc([C@H](C)Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)c(C(F)(F)F)c1.Cc1cn(-c2ccc(-c3cc(C)c(NC4CCCCC4)nn3)nc2CO)cn1
InChIInChI=1S/C26H30N6O.C25H25F3N6O.C24H26N6O2.C21H26N6O/c1-5-6-21(20-9-7-17(2)8-10-20)29-26-18(3)13-23(30-31-26)22-11-12-25(24(15-33)28-22)32-14-19(4)27-16-32;1-14-5-6-18(19(9-14)25(26,27)28)17(4)30-24-15(2)10-21(32-33-24)20-7-8-23(22(12-35)31-20)34-11-16(3)29-13-34;1-15-4-6-18(7-5-15)21(12-31)27-24-16(2)10-20(28-29-24)19-8-9-23(22(13-32)26-19)30-11-17(3)25-14-30;1-14-10-18(25-26-21(14)23-16-6-4-3-5-7-16)17-8-9-20(19(12-28)24-17)27-11-15(2)22-13-27/h7-14,16,21,33H,5-6,15H2,1-4H3,(H,29,31);5-11,13,17,35H,12H2,1-4H3,(H,30,33);4-11,14,21,31-32H,12-13H2,1-3H3,(H,27,29);8-11,13,16,28H,3-7,12H2,1-2H3,(H,23,26)/t21-;17-;21-;/m001./s1
InChIKeyMRCFKXYFUCLWKS-ZQLJCHBISA-N
XLogP17.29
TPSA375.23 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001734.07
LogP ≤ 517.29
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze [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 with MolForge

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Related Compounds

2-(4-Fluorophenyl)-2-[2-[4-[3-[[4-[3-[[4-[4-[4-[5-[1-(4-fluorophenyl)-1-hydroxyethyl]pyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-4-[4-[5-[2-(4-fluorophenyl)-1-hydroxypropan-2-yl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-3-ium-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-3-ium-4-yl]piperazin-1-yl]pyrimidin-5-yl]propan-1-ol
CID 123217151
[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 134391168
[6-[6-[[(1S)-1-(2-fluoro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391173
[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 134391175
[6-[6-[[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391179
[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 134391183
[6-[6-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391189
[6-[6-[[(1S)-1-(3,5-difluoro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391191
[6-[6-[[(1S)-1-(2,6-difluoro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391198
[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 134391204
[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391218
[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 134391281

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCC[C@H](Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C)c1ccc(C)cc1.Cc1ccc([C@@H](CO)Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)cc1.Cc1ccc([C@H](C)Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)c(C(F)(F)F)c1.Cc1cn(-c2ccc(-c3cc(C)c(NC4CCCCC4)nn3)nc2CO)cn1.
What is the InChIKey of [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?
The InChIKey is MRCFKXYFUCLWKS-ZQLJCHBISA-N. The full InChI is InChI=1S/C26H30N6O.C25H25F3N6O.C24H26N6O2.C21H26N6O/c1-5-6-21(20-9-7-17(2)8-10-20)29-26-18(3)13-23(30-31-26)22-11-12-25(24(15-33)28-22)32-14-19(4)27-16-32;1-14-5-6-18(19(9-14)25(26,27)28)17(4)30-24-15(2)10-21(32-33-24)20-7-8-23(22(12-35)31-20)34-11-16(3)29-13-34;1-15-4-6-18(7-5-15)21(12-31)27-24-16(2)10-20(28-29-24)19-8-9-23(22(13-32)26-19)30-11-17(3)25-14-30;1-14-10-18(25-26-21(14)23-16-6-4-3-5-7-16)17-8-9-20(19(12-28)24-17)27-11-15(2)22-13-27/h7-14,16,21,33H,5-6,15H2,1-4H3,(H,29,31);5-11,13,17,35H,12H2,1-4H3,(H,30,33);4-11,14,21,31-32H,12-13H2,1-3H3,(H,27,29);8-11,13,16,28H,3-7,12H2,1-2H3,(H,23,26)/t21-;17-;21-;/m001./s1.
What are the key properties of [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?
[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 has a molecular weight of 1734.07 g/mol, XLogP of 17.29, 26 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 159647145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).