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

C121H112N20O3S5 — CID 157063731

IUPACN-(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
SMILESCCCOc1cccc2cc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)sc12.COc1c(C)cc2cc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)sc2c1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(OC(C)C)c5s4)n3n2)cc1C
InChIInChI=1S/3C25H24N4OS.2C23H20N4S/c1-14-6-7-19(11-15(14)2)27-22-8-9-23-26-13-20(29(23)28-22)21-12-18-10-16(3)24(30-5)17(4)25(18)31-21;1-15(2)30-21-7-5-6-18-13-22(31-25(18)21)20-14-26-24-11-10-23(28-29(20)24)27-19-9-8-16(3)17(4)12-19;1-4-12-30-21-7-5-6-18-14-22(31-25(18)21)20-15-26-24-11-10-23(28-29(20)24)27-19-9-8-16(2)17(3)13-19;2*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/h6-13H,1-5H3,(H,27,28);5-15H,1-4H3,(H,27,28);5-11,13-15H,4,12H2,1-3H3,(H,27,28);2*4-13H,1-3H3,(H,25,26)
InChIKeyABPYXNXXLDKDLH-UHFFFAOYSA-N
MW2054.70 g/mol
LogP32.68
Rot. Bonds21

About 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

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 (PubChem CID 157063731) has the molecular formula C121H112N20O3S5 and a molecular weight of 2054.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID157063731
Molecular FormulaC121H112N20O3S5
Molecular Weight2054.70 g/mol
Exact Mass2052.78
IUPAC NameN-(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
SMILESCCCOc1cccc2cc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)sc12.COc1c(C)cc2cc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)sc2c1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(OC(C)C)c5s4)n3n2)cc1C
InChIInChI=1S/3C25H24N4OS.2C23H20N4S/c1-14-6-7-19(11-15(14)2)27-22-8-9-23-26-13-20(29(23)28-22)21-12-18-10-16(3)24(30-5)17(4)25(18)31-21;1-15(2)30-21-7-5-6-18-13-22(31-25(18)21)20-14-26-24-11-10-23(28-29(20)24)27-19-9-8-16(3)17(4)12-19;1-4-12-30-21-7-5-6-18-14-22(31-25(18)21)20-15-26-24-11-10-23(28-29(20)24)27-19-9-8-16(2)17(3)13-19;2*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/h6-13H,1-5H3,(H,27,28);5-15H,1-4H3,(H,27,28);5-11,13-15H,4,12H2,1-3H3,(H,27,28);2*4-13H,1-3H3,(H,25,26)
InChIKeyABPYXNXXLDKDLH-UHFFFAOYSA-N
XLogP32.68
TPSA238.79 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002054.70
LogP ≤ 532.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 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 with MolForge

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Related Compounds

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
N-(3,4-dimethylphenyl)-3-(7-propoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90393312
N-(3,4-dimethylphenyl)-3-(7-ethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90393366
3-(6,7-dimethoxy-5-methyl-1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 90393410
N-(3,4-dimethylphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90393487
N-(3,4-dimethylphenyl)-3-(6-methoxy-5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90393510
N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90393520
N-(3,4-dimethylphenyl)-3-(6-methoxy-5,7-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 121419127
2-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 157096277
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCOc1cccc2cc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)sc12.COc1c(C)cc2cc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)sc2c1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(OC(C)C)c5s4)n3n2)cc1C.
What is the InChIKey of 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?
The InChIKey is ABPYXNXXLDKDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H24N4OS.2C23H20N4S/c1-14-6-7-19(11-15(14)2)27-22-8-9-23-26-13-20(29(23)28-22)21-12-18-10-16(3)24(30-5)17(4)25(18)31-21;1-15(2)30-21-7-5-6-18-13-22(31-25(18)21)20-14-26-24-11-10-23(28-29(20)24)27-19-9-8-16(3)17(4)12-19;1-4-12-30-21-7-5-6-18-14-22(31-25(18)21)20-15-26-24-11-10-23(28-29(20)24)27-19-9-8-16(2)17(3)13-19;2*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/h6-13H,1-5H3,(H,27,28);5-15H,1-4H3,(H,27,28);5-11,13-15H,4,12H2,1-3H3,(H,27,28);2*4-13H,1-3H3,(H,25,26).
What are the key properties of 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?
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 has a molecular weight of 2054.70 g/mol, XLogP of 32.68, 21 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157063731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).