[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

C122H135F4N29O6 — CID 158620752

IUPAC[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
SMILESC.CC[C@H](Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C)c1ccc(C)cc1.COc1nc(-c2cc(C)c(C[C@@H]3C[C@H]3c3ccc(F)c(C)c3)nn2)ccc1-n1cnc(C)c1.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/C26H26FN5O.C25H25F3N6O.C25H28N6O.C24H26N6O2.C21H26N6O.CH4/c1-15-9-18(5-6-21(15)27)20-11-19(20)12-23-16(2)10-24(31-30-23)22-7-8-25(26(29-22)33-4)32-13-17(3)28-14-32;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;1-5-20(19-8-6-16(2)7-9-19)28-25-17(3)12-22(29-30-25)21-10-11-24(23(14-32)27-21)31-13-18(4)26-15-31;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;/h5-10,13-14,19-20H,11-12H2,1-4H3;5-11,13,17,35H,12H2,1-4H3,(H,30,33);6-13,15,20,32H,5,14H2,1-4H3,(H,28,30);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);1H4/t19-,20-;17-;20-;21-;;/m0001../s1
InChIKeyHXYQAPFJRLGHNL-CXLHCPACSA-N
MW2179.61 g/mol
LogP22.68
Rot. Bonds31

About [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

[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 (PubChem CID 158620752) has the molecular formula C122H135F4N29O6 and a molecular weight of 2179.61 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158620752
Molecular FormulaC122H135F4N29O6
Molecular Weight2179.61 g/mol
Exact Mass2178.11
IUPAC Name[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
SMILESC.CC[C@H](Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C)c1ccc(C)cc1.COc1nc(-c2cc(C)c(C[C@@H]3C[C@H]3c3ccc(F)c(C)c3)nn2)ccc1-n1cnc(C)c1.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/C26H26FN5O.C25H25F3N6O.C25H28N6O.C24H26N6O2.C21H26N6O.CH4/c1-15-9-18(5-6-21(15)27)20-11-19(20)12-23-16(2)10-24(31-30-23)22-7-8-25(26(29-22)33-4)32-13-17(3)28-14-32;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;1-5-20(19-8-6-16(2)7-9-19)28-25-17(3)12-22(29-30-25)21-10-11-24(23(14-32)27-21)31-13-18(4)26-15-31;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;/h5-10,13-14,19-20H,11-12H2,1-4H3;5-11,13,17,35H,12H2,1-4H3,(H,30,33);6-13,15,20,32H,5,14H2,1-4H3,(H,28,30);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);1H4/t19-,20-;17-;20-;21-;;/m0001../s1
InChIKeyHXYQAPFJRLGHNL-CXLHCPACSA-N
XLogP22.68
TPSA440.95 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds31
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002179.61
LogP ≤ 522.68
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Analyze [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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-[6-(cyclopentylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(2S)-3,3-dimethylbutan-2-yl]amino]-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-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 159255053
[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;methane;[6-[6-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 160982818
N-cyclohexyl-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 134391643
[6-[6-[[(1S)-1-(2,3-difluorophenyl)ethyl]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;[6-[6-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 158441393
[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 134391183
(3S)-3-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-3-(4-methylphenyl)propan-1-ol
CID 134391209
[6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391314
6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine
CID 175029624
N-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 140855855
6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine
CID 159339530
6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(4-methylphenyl)propyl]pyridazine
CID 158624653
N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 134391564

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C.CC[C@H](Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C)c1ccc(C)cc1.COc1nc(-c2cc(C)c(C[C@@H]3C[C@H]3c3ccc(F)c(C)c3)nn2)ccc1-n1cnc(C)c1.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;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?
The InChIKey is HXYQAPFJRLGHNL-CXLHCPACSA-N. The full InChI is InChI=1S/C26H26FN5O.C25H25F3N6O.C25H28N6O.C24H26N6O2.C21H26N6O.CH4/c1-15-9-18(5-6-21(15)27)20-11-19(20)12-23-16(2)10-24(31-30-23)22-7-8-25(26(29-22)33-4)32-13-17(3)28-14-32;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;1-5-20(19-8-6-16(2)7-9-19)28-25-17(3)12-22(29-30-25)21-10-11-24(23(14-32)27-21)31-13-18(4)26-15-31;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;/h5-10,13-14,19-20H,11-12H2,1-4H3;5-11,13,17,35H,12H2,1-4H3,(H,30,33);6-13,15,20,32H,5,14H2,1-4H3,(H,28,30);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);1H4/t19-,20-;17-;20-;21-;;/m0001../s1.
What are the key properties of [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?
[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 has a molecular weight of 2179.61 g/mol, XLogP of 22.68, 31 rotatable bonds, 9 hydrogen bond donors, and 35 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;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 is sourced from PubChem (CID 158620752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).