3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C111H114N24O3S — CID 157320407

IUPAC3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5[nH]4)n3n2)cc1C.Cc1ccc2c(c1)cc(-c1cnc3ccc(NC4CCC(O)CC4)nn13)n2C.Cc1ccc2c(c1)cc(-c1cnc3ccc(Nc4ccc(C)c(C)c4)nn13)n2C.Cc1ccc2sc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)cc2c1.Cc1cccc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)[nH]c12
InChIInChI=1S/C24H23N5.C23H21N5.C22H25N5O.C21H23N5O.C21H22N4OS/c1-15-5-8-20-18(11-15)13-21(28(20)4)22-14-25-24-10-9-23(27-29(22)24)26-19-7-6-16(2)17(3)12-19;1-14-7-8-18(11-16(14)3)25-21-9-10-22-24-13-20(28(22)27-21)19-12-17-6-4-5-15(2)23(17)26-19;1-14-3-8-18-15(11-14)12-19(26(18)2)20-13-23-22-10-9-21(25-27(20)22)24-16-4-6-17(28)7-5-16;1-13-3-2-4-14-11-17(24-21(13)14)18-12-22-20-10-9-19(25-26(18)20)23-15-5-7-16(27)8-6-15;1-13-2-7-18-14(10-13)11-19(27-18)17-12-22-21-9-8-20(24-25(17)21)23-15-3-5-16(26)6-4-15/h5-14H,1-4H3,(H,26,27);4-13,26H,1-3H3,(H,25,27);3,8-13,16-17,28H,4-7H2,1-2H3,(H,24,25);2-4,9-12,15-16,24,27H,5-8H2,1H3,(H,23,25);2,7-12,15-16,26H,3-6H2,1H3,(H,23,24)
InChIKeyBECBYFQEECULOY-UHFFFAOYSA-N
MW1864.36 g/mol
LogP23.55
Rot. Bonds15

About 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 157320407) has the molecular formula C111H114N24O3S and a molecular weight of 1864.36 g/mol. Its IUPAC name is 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID157320407
Molecular FormulaC111H114N24O3S
Molecular Weight1864.36 g/mol
Exact Mass1862.92
IUPAC Name3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5[nH]4)n3n2)cc1C.Cc1ccc2c(c1)cc(-c1cnc3ccc(NC4CCC(O)CC4)nn13)n2C.Cc1ccc2c(c1)cc(-c1cnc3ccc(Nc4ccc(C)c(C)c4)nn13)n2C.Cc1ccc2sc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)cc2c1.Cc1cccc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)[nH]c12
InChIInChI=1S/C24H23N5.C23H21N5.C22H25N5O.C21H23N5O.C21H22N4OS/c1-15-5-8-20-18(11-15)13-21(28(20)4)22-14-25-24-10-9-23(27-29(22)24)26-19-7-6-16(2)17(3)12-19;1-14-7-8-18(11-16(14)3)25-21-9-10-22-24-13-20(28(22)27-21)19-12-17-6-4-5-15(2)23(17)26-19;1-14-3-8-18-15(11-14)12-19(26(18)2)20-13-23-22-10-9-21(25-27(20)22)24-16-4-6-17(28)7-5-16;1-13-3-2-4-14-11-17(24-21(13)14)18-12-22-20-10-9-19(25-26(18)20)23-15-5-7-16(27)8-6-15;1-13-2-7-18-14(10-13)11-19(27-18)17-12-22-21-9-8-20(24-25(17)21)23-15-3-5-16(26)6-4-15/h5-14H,1-4H3,(H,26,27);4-13,26H,1-3H3,(H,25,27);3,8-13,16-17,28H,4-7H2,1-2H3,(H,24,25);2-4,9-12,15-16,24,27H,5-8H2,1H3,(H,23,25);2,7-12,15-16,26H,3-6H2,1H3,(H,23,24)
InChIKeyBECBYFQEECULOY-UHFFFAOYSA-N
XLogP23.55
TPSA313.23 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds15
Heavy Atoms139
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001864.36
LogP ≤ 523.55
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 157320407) is 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5[nH]4)n3n2)cc1C.Cc1ccc2c(c1)cc(-c1cnc3ccc(NC4CCC(O)CC4)nn13)n2C.Cc1ccc2c(c1)cc(-c1cnc3ccc(Nc4ccc(C)c(C)c4)nn13)n2C.Cc1ccc2sc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)cc2c1.Cc1cccc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)[nH]c12.
What is the InChIKey of 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is BECBYFQEECULOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5.C23H21N5.C22H25N5O.C21H23N5O.C21H22N4OS/c1-15-5-8-20-18(11-15)13-21(28(20)4)22-14-25-24-10-9-23(27-29(22)24)26-19-7-6-16(2)17(3)12-19;1-14-7-8-18(11-16(14)3)25-21-9-10-22-24-13-20(28(22)27-21)19-12-17-6-4-5-15(2)23(17)26-19;1-14-3-8-18-15(11-14)12-19(26(18)2)20-13-23-22-10-9-21(25-27(20)22)24-16-4-6-17(28)7-5-16;1-13-3-2-4-14-11-17(24-21(13)14)18-12-22-20-10-9-19(25-26(18)20)23-15-5-7-16(27)8-6-15;1-13-2-7-18-14(10-13)11-19(27-18)17-12-22-21-9-8-20(24-25(17)21)23-15-3-5-16(26)6-4-15/h5-14H,1-4H3,(H,26,27);4-13,26H,1-3H3,(H,25,27);3,8-13,16-17,28H,4-7H2,1-2H3,(H,24,25);2-4,9-12,15-16,24,27H,5-8H2,1H3,(H,23,25);2,7-12,15-16,26H,3-6H2,1H3,(H,23,24).
What are the key properties of 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 1864.36 g/mol, XLogP of 23.55, 15 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(3,4-dimethylphenyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 157320407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).