[6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-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-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol

C121H134F4N30O5 — CID 160763787

IUPAC[6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-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-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
SMILESCc1ccc([C@@H](Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)C(C)C)cc1.Cc1cn(-c2ccc(-c3cc(C)c(NC(C)Cc4ccc(F)cc4)nn3)nc2CO)cn1.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)C4CCCCC4)nn3)nc2CO)cn1.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)c4ccccc4C(F)(F)F)nn3)nc2CO)cn1.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)c4ccccc4C)nn3)nc2CO)cn1
InChIInChI=1S/C26H30N6O.C24H23F3N6O.C24H25FN6O.C24H26N6O.C23H30N6O/c1-16(2)25(20-8-6-17(3)7-9-20)29-26-18(4)12-22(30-31-26)21-10-11-24(23(14-33)28-21)32-13-19(5)27-15-32;1-14-10-20(19-8-9-22(21(12-34)30-19)33-11-15(2)28-13-33)31-32-23(14)29-16(3)17-6-4-5-7-18(17)24(25,26)27;1-15-10-21(20-8-9-23(22(13-32)28-20)31-12-17(3)26-14-31)29-30-24(15)27-16(2)11-18-4-6-19(25)7-5-18;1-15-7-5-6-8-19(15)18(4)26-24-16(2)11-21(28-29-24)20-9-10-23(22(13-31)27-20)30-12-17(3)25-14-30;1-15-11-20(27-28-23(15)25-17(3)18-7-5-4-6-8-18)19-9-10-22(21(13-30)26-19)29-12-16(2)24-14-29/h6-13,15-16,25,33H,14H2,1-5H3,(H,29,31);4-11,13,16,34H,12H2,1-3H3,(H,29,32);4-10,12,14,16,32H,11,13H2,1-3H3,(H,27,30);5-12,14,18,31H,13H2,1-4H3,(H,26,29);9-12,14,17-18,30H,4-8,13H2,1-3H3,(H,25,28)/t25-;16-;;18-;17-/m00.00/s1
InChIKeyRYKKDNJCIHHSRP-RJGNSYEKSA-N
MW2164.60 g/mol
LogP22.52
Rot. Bonds32

About [6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-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-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol

[6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-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-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol (PubChem CID 160763787) has the molecular formula C121H134F4N30O5 and a molecular weight of 2164.60 g/mol. Its IUPAC name is [6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-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-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-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-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
PubChem CID160763787
Molecular FormulaC121H134F4N30O5
Molecular Weight2164.60 g/mol
Exact Mass2163.11
IUPAC Name[6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-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-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
SMILESCc1ccc([C@@H](Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)C(C)C)cc1.Cc1cn(-c2ccc(-c3cc(C)c(NC(C)Cc4ccc(F)cc4)nn3)nc2CO)cn1.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)C4CCCCC4)nn3)nc2CO)cn1.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)c4ccccc4C(F)(F)F)nn3)nc2CO)cn1.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)c4ccccc4C)nn3)nc2CO)cn1
InChIInChI=1S/C26H30N6O.C24H23F3N6O.C24H25FN6O.C24H26N6O.C23H30N6O/c1-16(2)25(20-8-6-17(3)7-9-20)29-26-18(4)12-22(30-31-26)21-10-11-24(23(14-33)28-21)32-13-19(5)27-15-32;1-14-10-20(19-8-9-22(21(12-34)30-19)33-11-15(2)28-13-33)31-32-23(14)29-16(3)17-6-4-5-7-18(17)24(25,26)27;1-15-10-21(20-8-9-23(22(13-32)28-20)31-12-17(3)26-14-31)29-30-24(15)27-16(2)11-18-4-6-19(25)7-5-18;1-15-7-5-6-8-19(15)18(4)26-24-16(2)11-21(28-29-24)20-9-10-23(22(13-31)27-20)30-12-17(3)25-14-30;1-15-11-20(27-28-23(15)25-17(3)18-7-5-4-6-8-18)19-9-10-22(21(13-30)26-19)29-12-16(2)24-14-29/h6-13,15-16,25,33H,14H2,1-5H3,(H,29,31);4-11,13,16,34H,12H2,1-3H3,(H,29,32);4-10,12,14,16,32H,11,13H2,1-3H3,(H,27,30);5-12,14,18,31H,13H2,1-4H3,(H,26,29);9-12,14,17-18,30H,4-8,13H2,1-3H3,(H,25,28)/t25-;16-;;18-;17-/m00.00/s1
InChIKeyRYKKDNJCIHHSRP-RJGNSYEKSA-N
XLogP22.52
TPSA443.75 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds32
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002164.60
LogP ≤ 522.52
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze [6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-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-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol with MolForge

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Related Compounds

N-[2-[[[4-[3-[[2-[[[4-[3-[[2-[[3-[[2-[(2-fluoro-2-methylpropoxy)-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]methoxy-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]oxolan-2-yl]methylamino]-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]oxolan-2-yl]methylamino]-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N',3-dimethylbut-2-enimidamide
CID 91050275
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
(4-fluorophenyl)-[2-[4-[2-[[4-[4-[4-[5-[(4-fluorophenyl)-[1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]peroxymethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanol
CID 123712379
[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
[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 134391183
[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-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391304
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
7-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[5-(hydroxymethyl)-1-methylimidazol-4-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157587828
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-fluoro-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-fluoro-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol;[6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]-3-pyridinyl]methanol;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 157665559
[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

Frequently Asked Questions

What is the IUPAC name of [6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-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-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-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-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol (CID 160763787) is [6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-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-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-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-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-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-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol is Cc1ccc([C@@H](Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)C(C)C)cc1.Cc1cn(-c2ccc(-c3cc(C)c(NC(C)Cc4ccc(F)cc4)nn3)nc2CO)cn1.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)C4CCCCC4)nn3)nc2CO)cn1.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)c4ccccc4C(F)(F)F)nn3)nc2CO)cn1.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)c4ccccc4C)nn3)nc2CO)cn1.
What is the InChIKey of [6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-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-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?
The InChIKey is RYKKDNJCIHHSRP-RJGNSYEKSA-N. The full InChI is InChI=1S/C26H30N6O.C24H23F3N6O.C24H25FN6O.C24H26N6O.C23H30N6O/c1-16(2)25(20-8-6-17(3)7-9-20)29-26-18(4)12-22(30-31-26)21-10-11-24(23(14-33)28-21)32-13-19(5)27-15-32;1-14-10-20(19-8-9-22(21(12-34)30-19)33-11-15(2)28-13-33)31-32-23(14)29-16(3)17-6-4-5-7-18(17)24(25,26)27;1-15-10-21(20-8-9-23(22(13-32)28-20)31-12-17(3)26-14-31)29-30-24(15)27-16(2)11-18-4-6-19(25)7-5-18;1-15-7-5-6-8-19(15)18(4)26-24-16(2)11-21(28-29-24)20-9-10-23(22(13-31)27-20)30-12-17(3)25-14-30;1-15-11-20(27-28-23(15)25-17(3)18-7-5-4-6-8-18)19-9-10-22(21(13-30)26-19)29-12-16(2)24-14-29/h6-13,15-16,25,33H,14H2,1-5H3,(H,29,31);4-11,13,16,34H,12H2,1-3H3,(H,29,32);4-10,12,14,16,32H,11,13H2,1-3H3,(H,27,30);5-12,14,18,31H,13H2,1-4H3,(H,26,29);9-12,14,17-18,30H,4-8,13H2,1-3H3,(H,25,28)/t25-;16-;;18-;17-/m00.00/s1.
What are the key properties of [6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-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-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?
[6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-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-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol has a molecular weight of 2164.60 g/mol, XLogP of 22.52, 32 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[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)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-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-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 160763787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).