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

C133H153N27O10S2 — CID 158358077

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

N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(1,1-dioxothian-4-yl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);3-(3-methylphenyl)-6-(oxan-4-ylmethoxy)imidazo[1,2-b]pyridazine;3-(3-methylphenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 158358077) has the molecular formula C133H153N27O10S2 and a molecular weight of 2354.00 g/mol. Its IUPAC name is N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(1,1-dioxothian-4-yl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);3-(3-methylphenyl)-6-(oxan-4-ylmethoxy)imidazo[1,2-b]pyridazine;3-(3-methylphenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

• Compound Name: N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(1,1-dioxothian-4-yl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);3-(3-methylphenyl)-6-(oxan-4-ylmethoxy)imidazo[1,2-b]pyridazine;3-(3-methylphenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
• PubChem CID: 158358077
• Molecular Formula: C133H153N27O10S2
• Molecular Weight: 2354.00 g/mol
• Exact Mass: 2352.17
• IUPAC Name: N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(1,1-dioxothian-4-yl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);3-(3-methylphenyl)-6-(oxan-4-ylmethoxy)imidazo[1,2-b]pyridazine;3-(3-methylphenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
• SMILES: Cc1cccc(-c2cnc3ccc(NC4CCC(C)(O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCS(=O)(=O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NCC4CCOCC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NCC4CCS(=O)(=O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(OCC4CCOCC4)nn23)c1
• InChI: InChI=1S/C20H24N4O.C19H22N4O2S.3C19H22N4O.C19H21N3O2.C18H20N4O2S/c1-14-4-3-5-15(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)17-13-21-19-6-5-18(22-23(17)19)20-12-15-7-9-26(24,25)10-8-15;2*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;1-14-3-2-4-16(11-14)17-13-21-19-6-5-18(22-23(17)19)20-12-15-7-9-24-10-8-15;1-14-3-2-4-16(11-14)17-12-20-18-5-6-19(21-22(17)18)24-13-15-7-9-23-10-8-15;1-13-3-2-4-14(11-13)16-12-19-18-6-5-17(21-22(16)18)20-15-7-9-25(23,24)10-8-15/h3-7,12-13,16,25H,8-11H2,1-2H3,(H,22,23);2-6,11,13,15H,7-10,12H2,1H3,(H,20,22);2*2-4,9-12,15-16,24H,5-8H2,1H3,(H,21,22);2-6,11,13,15H,7-10,12H2,1H3,(H,20,22);2-6,11-12,15H,7-10,13H2,1H3;2-6,11-12,15H,7-10H2,1H3,(H,20,21)
• InChIKey: GTCXSRCDAGHALO-UHFFFAOYSA-N
• XLogP: 23.34
• TPSA: 440.17 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2354.00
LogP ≤ 5	23.34
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

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;N-(1,1-dioxothian-4-yl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);3-(3-methylphenyl)-6-(oxan-4-ylmethoxy)imidazo[1,2-b]pyridazine;3-(3-methylphenyl)-N-(oxan-4-ylmethyl)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;N-(1,1-dioxothian-4-yl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);3-(3-methylphenyl)-6-(oxan-4-ylmethoxy)imidazo[1,2-b]pyridazine;3-(3-methylphenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 158358077) is N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(1,1-dioxothian-4-yl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);3-(3-methylphenyl)-6-(oxan-4-ylmethoxy)imidazo[1,2-b]pyridazine;3-(3-methylphenyl)-N-(oxan-4-ylmethyl)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;N-(1,1-dioxothian-4-yl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);3-(3-methylphenyl)-6-(oxan-4-ylmethoxy)imidazo[1,2-b]pyridazine;3-(3-methylphenyl)-N-(oxan-4-ylmethyl)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;N-(1,1-dioxothian-4-yl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);3-(3-methylphenyl)-6-(oxan-4-ylmethoxy)imidazo[1,2-b]pyridazine;3-(3-methylphenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is Cc1cccc(-c2cnc3ccc(NC4CCC(C)(O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCS(=O)(=O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NCC4CCOCC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NCC4CCS(=O)(=O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(OCC4CCOCC4)nn23)c1.

What is the InChIKey of N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(1,1-dioxothian-4-yl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);3-(3-methylphenyl)-6-(oxan-4-ylmethoxy)imidazo[1,2-b]pyridazine;3-(3-methylphenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?

The InChIKey is GTCXSRCDAGHALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.C19H22N4O2S.3C19H22N4O.C19H21N3O2.C18H20N4O2S/c1-14-4-3-5-15(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)17-13-21-19-6-5-18(22-23(17)19)20-12-15-7-9-26(24,25)10-8-15;2*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;1-14-3-2-4-16(11-14)17-13-21-19-6-5-18(22-23(17)19)20-12-15-7-9-24-10-8-15;1-14-3-2-4-16(11-14)17-12-20-18-5-6-19(21-22(17)18)24-13-15-7-9-23-10-8-15;1-13-3-2-4-14(11-13)16-12-19-18-6-5-17(21-22(16)18)20-15-7-9-25(23,24)10-8-15/h3-7,12-13,16,25H,8-11H2,1-2H3,(H,22,23);2-6,11,13,15H,7-10,12H2,1H3,(H,20,22);2*2-4,9-12,15-16,24H,5-8H2,1H3,(H,21,22);2-6,11,13,15H,7-10,12H2,1H3,(H,20,22);2-6,11-12,15H,7-10,13H2,1H3;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;N-(1,1-dioxothian-4-yl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);3-(3-methylphenyl)-6-(oxan-4-ylmethoxy)imidazo[1,2-b]pyridazine;3-(3-methylphenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?

N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(1,1-dioxothian-4-yl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);3-(3-methylphenyl)-6-(oxan-4-ylmethoxy)imidazo[1,2-b]pyridazine;3-(3-methylphenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 2354.00 g/mol, XLogP of 23.34, 24 rotatable bonds, 9 hydrogen bond donors, and 37 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;N-(1,1-dioxothian-4-yl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);3-(3-methylphenyl)-6-(oxan-4-ylmethoxy)imidazo[1,2-b]pyridazine;3-(3-methylphenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 158358077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).