3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine

C138H115F5N24O2S6 — CID 158765935

IUPAC3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(OC(F)(F)F)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(OC(F)F)c5s4)n3n2)cc1C.Cc1ccc2sc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)cc2c1
InChIInChI=1S/C23H17F3N4OS.C23H18F2N4OS.4C23H20N4S/c1-13-6-7-16(10-14(13)2)28-20-8-9-21-27-12-17(30(21)29-20)19-11-15-4-3-5-18(22(15)32-19)31-23(24,25)26;1-13-6-7-16(10-14(13)2)27-20-8-9-21-26-12-17(29(21)28-20)19-11-15-4-3-5-18(22(15)31-19)30-23(24)25;1-14-4-7-20-17(10-14)12-21(28-20)19-13-24-23-9-8-22(26-27(19)23)25-18-6-5-15(2)16(3)11-18;3*1-14-7-8-18(11-16(14)3)25-21-9-10-22-24-13-19(27(22)26-21)20-12-17-6-4-5-15(2)23(17)28-20/h3-12H,1-2H3,(H,28,29);3-12,23H,1-2H3,(H,27,28);4*4-13H,1-3H3,(H,25,26)
InChIKeyIPGKBNQZEJDUMH-UHFFFAOYSA-N
MW2429.00 g/mol
LogP38.56
Rot. Bonds21

About 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine

3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 158765935) has the molecular formula C138H115F5N24O2S6 and a molecular weight of 2429.00 g/mol. Its IUPAC name is 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID158765935
Molecular FormulaC138H115F5N24O2S6
Molecular Weight2429.00 g/mol
Exact Mass2426.79
IUPAC Name3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(OC(F)(F)F)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(OC(F)F)c5s4)n3n2)cc1C.Cc1ccc2sc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)cc2c1
InChIInChI=1S/C23H17F3N4OS.C23H18F2N4OS.4C23H20N4S/c1-13-6-7-16(10-14(13)2)28-20-8-9-21-27-12-17(30(21)29-20)19-11-15-4-3-5-18(22(15)32-19)31-23(24,25)26;1-13-6-7-16(10-14(13)2)27-20-8-9-21-26-12-17(29(21)28-20)19-11-15-4-3-5-18(22(15)31-19)30-23(24)25;1-14-4-7-20-17(10-14)12-21(28-20)19-13-24-23-9-8-22(26-27(19)23)25-18-6-5-15(2)16(3)11-18;3*1-14-7-8-18(11-16(14)3)25-21-9-10-22-24-13-19(27(22)26-21)20-12-17-6-4-5-15(2)23(17)28-20/h3-12H,1-2H3,(H,28,29);3-12,23H,1-2H3,(H,27,28);4*4-13H,1-3H3,(H,25,26)
InChIKeyIPGKBNQZEJDUMH-UHFFFAOYSA-N
XLogP38.56
TPSA271.78 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002429.00
LogP ≤ 538.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine 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

3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 90393368
N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine
CID 90393475
3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine
CID 144698989
6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 161353697
N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90393310
N-(3,4-dimethylphenyl)-3-(6-methoxy-5,7-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;bis(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(7-propoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 157063731
3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 157119405
3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine)
CID 157200976
1-[(3S)-3-[4-amino-5-(7-methoxy-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[4-amino-5-(7-methoxy-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]pyrrolidin-1-yl]prop-2-en-1-one;(E)-1-[(3S)-3-[4-amino-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]pyrrolidin-1-yl]-4-morpholin-4-ylbut-2-en-1-one;(E)-1-[(3R)-3-[4-amino-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]pyrrolidin-1-yl]-4-morpholin-4-ylbut-2-en-1-one
CID 157557094
tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);4-[[3-(6-methoxy-5,7-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol
CID 157567390
4-[[3-(1-benzothiophen-3-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-4-yl)imidazo[1,2-b]pyridazin-6-amine;methane;4-[[3-(7-methoxy-1-benzothiophen-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-methyl-3-(2-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine
CID 157846340
3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;1-[3-[[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]ethanone;3-(1H-indol-5-yl)-6-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine;methyl 4-[[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]benzoate
CID 157894577

Frequently Asked Questions

What is the IUPAC name of 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine (CID 158765935) is 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine is Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(OC(F)(F)F)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(OC(F)F)c5s4)n3n2)cc1C.Cc1ccc2sc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)cc2c1.
What is the InChIKey of 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is IPGKBNQZEJDUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4OS.C23H18F2N4OS.4C23H20N4S/c1-13-6-7-16(10-14(13)2)28-20-8-9-21-27-12-17(30(21)29-20)19-11-15-4-3-5-18(22(15)32-19)31-23(24,25)26;1-13-6-7-16(10-14(13)2)27-20-8-9-21-26-12-17(29(21)28-20)19-11-15-4-3-5-18(22(15)31-19)30-23(24)25;1-14-4-7-20-17(10-14)12-21(28-20)19-13-24-23-9-8-22(26-27(19)23)25-18-6-5-15(2)16(3)11-18;3*1-14-7-8-18(11-16(14)3)25-21-9-10-22-24-13-19(27(22)26-21)20-12-17-6-4-5-15(2)23(17)28-20/h3-12H,1-2H3,(H,28,29);3-12,23H,1-2H3,(H,27,28);4*4-13H,1-3H3,(H,25,26).
What are the key properties of 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine?
3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 2429.00 g/mol, XLogP of 38.56, 21 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);N-(3,4-dimethylphenyl)-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 158765935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).