N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine

C138H164N28O8S — CID 159505167

IUPACN-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1cccc(-c2cnc3ccc(NC4CCC(C(C)(C)O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(C)(O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(C)(O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(CO)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NCC4CCS(=O)(=O)CC4)nn23)c1
InChIInChI=1S/C22H28N4O.3C20H24N4O.C19H22N4O2S.C19H22N4O.C18H20N4O/c1-15-5-4-6-16(13-15)19-14-23-21-12-11-20(25-26(19)21)24-18-9-7-17(8-10-18)22(2,3)27;2*1-14-4-3-5-15(12-14)17-13-21-19-7-6-18(23-24(17)19)22-16-8-10-20(2,25)11-9-16;1-14-3-2-4-16(11-14)18-12-21-20-10-9-19(23-24(18)20)22-17-7-5-15(13-25)6-8-17;1-14-3-2-4-16(11-14)17-13-21-19-6-5-18(22-23(17)19)20-12-15-7-9-26(24,25)10-8-15;1-13-3-2-4-14(11-13)17-12-20-19-10-9-18(22-23(17)19)21-15-5-7-16(24)8-6-15;1-13-3-2-4-14(11-13)16-12-19-18-6-5-17(21-22(16)18)20-15-7-9-23-10-8-15/h4-6,11-14,17-18,27H,7-10H2,1-3H3,(H,24,25);2*3-7,12-13,16,25H,8-11H2,1-2H3,(H,22,23);2-4,9-12,15,17,25H,5-8,13H2,1H3,(H,22,23);2-6,11,13,15H,7-10,12H2,1H3,(H,20,22);2-4,9-12,15-16,24H,5-8H2,1H3,(H,21,22);2-6,11-12,15H,7-10H2,1H3,(H,20,21)
InChIKeyLZWWVDHEYFEFDR-UHFFFAOYSA-N
MW2375.08 g/mol
LogP25.39
Rot. Bonds24

About N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine

N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 159505167) has the molecular formula C138H164N28O8S and a molecular weight of 2375.08 g/mol. Its IUPAC name is N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID159505167
Molecular FormulaC138H164N28O8S
Molecular Weight2375.08 g/mol
Exact Mass2373.30
IUPAC NameN-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1cccc(-c2cnc3ccc(NC4CCC(C(C)(C)O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(C)(O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(C)(O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(CO)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NCC4CCS(=O)(=O)CC4)nn23)c1
InChIInChI=1S/C22H28N4O.3C20H24N4O.C19H22N4O2S.C19H22N4O.C18H20N4O/c1-15-5-4-6-16(13-15)19-14-23-21-12-11-20(25-26(19)21)24-18-9-7-17(8-10-18)22(2,3)27;2*1-14-4-3-5-15(12-14)17-13-21-19-7-6-18(23-24(17)19)22-16-8-10-20(2,25)11-9-16;1-14-3-2-4-16(11-14)18-12-21-20-10-9-19(23-24(18)20)22-17-7-5-15(13-25)6-8-17;1-14-3-2-4-16(11-14)17-13-21-19-6-5-18(22-23(17)19)20-12-15-7-9-26(24,25)10-8-15;1-13-3-2-4-14(11-13)17-12-20-19-10-9-18(22-23(17)19)21-15-5-7-16(24)8-6-15;1-13-3-2-4-14(11-13)16-12-19-18-6-5-17(21-22(16)18)20-15-7-9-23-10-8-15/h4-6,11-14,17-18,27H,7-10H2,1-3H3,(H,24,25);2*3-7,12-13,16,25H,8-11H2,1-2H3,(H,22,23);2-4,9-12,15,17,25H,5-8,13H2,1H3,(H,22,23);2-6,11,13,15H,7-10,12H2,1H3,(H,20,22);2-4,9-12,15-16,24H,5-8H2,1H3,(H,21,22);2-6,11-12,15H,7-10H2,1H3,(H,20,21)
InChIKeyLZWWVDHEYFEFDR-UHFFFAOYSA-N
XLogP25.39
TPSA440.06 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds24
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002375.08
LogP ≤ 525.39
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine with MolForge

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Related Compounds

4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
CID 157643216
4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-[4-(oxetan-3-yl)piperazin-1-yl]-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 158060684
4-[5-[2-(6-azaspiro[3.4]octan-6-yl)-4-pyridinyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-[2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-pyridinyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;N-[(2S)-1-methoxypropan-2-yl]-7-(4-methylcyclohexyl)-5-[(1R,5S)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 158306634
N-[[(2S,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(oxan-4-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine
CID 158655402
N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
CID 158721547
bis(4-[5-(1-cyclopentylpyrazol-4-yl)-2-[(2R)-4,4,4-trifluoro-2-methylbutyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol);4-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 158736799
4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide
CID 159286291
4-[5-(5-ethylsulfonyl-3-pyridinyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(5-methylsulfonyl-3-pyridinyl)-2-[(2R)-4,4,4-trifluoro-2-methylbutyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 159962096
N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(1,1-dioxothian-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
CID 160094100
4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol
CID 160956006
4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-5-(5-ethylsulfonyl-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(5-methylsulfonyl-3-pyridinyl)-2-[(2R)-4,4,4-trifluoro-2-methylbutyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 161371041
6-(benzenesulfonyl)-N-[(1R)-1-phenylethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;6-(benzenesulfonyl)-N-[(4-pyridin-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;6-(benzenesulfonyl)-N-[(4-pyridin-2-ylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine;(1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]-1-cyclohexylethanol;2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]-1-cyclopentylethanol
CID 157050013

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 159505167) is N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is Cc1cccc(-c2cnc3ccc(NC4CCC(C(C)(C)O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(C)(O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(C)(O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(CO)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NCC4CCS(=O)(=O)CC4)nn23)c1.
What is the InChIKey of N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is LZWWVDHEYFEFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O.3C20H24N4O.C19H22N4O2S.C19H22N4O.C18H20N4O/c1-15-5-4-6-16(13-15)19-14-23-21-12-11-20(25-26(19)21)24-18-9-7-17(8-10-18)22(2,3)27;2*1-14-4-3-5-15(12-14)17-13-21-19-7-6-18(23-24(17)19)22-16-8-10-20(2,25)11-9-16;1-14-3-2-4-16(11-14)18-12-21-20-10-9-19(23-24(18)20)22-17-7-5-15(13-25)6-8-17;1-14-3-2-4-16(11-14)17-13-21-19-6-5-18(22-23(17)19)20-12-15-7-9-26(24,25)10-8-15;1-13-3-2-4-14(11-13)17-12-20-19-10-9-18(22-23(17)19)21-15-5-7-16(24)8-6-15;1-13-3-2-4-14(11-13)16-12-19-18-6-5-17(21-22(16)18)20-15-7-9-23-10-8-15/h4-6,11-14,17-18,27H,7-10H2,1-3H3,(H,24,25);2*3-7,12-13,16,25H,8-11H2,1-2H3,(H,22,23);2-4,9-12,15,17,25H,5-8,13H2,1H3,(H,22,23);2-6,11,13,15H,7-10,12H2,1H3,(H,20,22);2-4,9-12,15-16,24H,5-8H2,1H3,(H,21,22);2-6,11-12,15H,7-10H2,1H3,(H,20,21).
What are the key properties of N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 2375.08 g/mol, XLogP of 25.39, 24 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 159505167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).