3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(6-methoxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazine

C68H58N14O3S3 — CID 144699028

About 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(6-methoxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazine

3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(6-methoxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazine (PubChem CID 144699028) has the molecular formula C68H58N14O3S3 and a molecular weight of 1215.51 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(6-methoxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(6-methoxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazine
• PubChem CID: 144699028
• Molecular Formula: C68H58N14O3S3
• Molecular Weight: 1215.51 g/mol
• Exact Mass: 1214.40
• IUPAC Name: 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(6-methoxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazine
• SMILES: CN1CCN(Cc2ccc(-c3ccc4ncc(-c5cc6ccccc6s5)n4n3)cc2)CC1.COc1cccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)c1OC.COc1cccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)n1
• InChI: InChI=1S/C26H25N5S.C22H18N4O2S.C20H15N5OS/c1-29-12-14-30(15-13-29)18-19-6-8-20(9-7-19)22-10-11-26-27-17-23(31(26)28-22)25-16-21-4-2-3-5-24(21)32-25;1-27-17-8-5-7-15(22(17)28-2)24-20-10-11-21-23-13-16(26(21)25-20)19-12-14-6-3-4-9-18(14)29-19;1-26-20-8-4-7-17(23-20)22-18-9-10-19-21-12-14(25(19)24-18)16-11-13-5-2-3-6-15(13)27-16/h2-11,16-17H,12-15,18H2,1H3;3-13H,1-2H3,(H,24,25);2-12H,1H3,(H,22,23,24)
• InChIKey: OTEUOHSFLRCJBV-UHFFFAOYSA-N
• XLogP: 15.16
• TPSA: 161.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1215.51
LogP ≤ 5	15.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(6-methoxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazine?

The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(6-methoxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazine (CID 144699028) is 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(6-methoxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazine.

What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(6-methoxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazine?

The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(6-methoxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazine is CN1CCN(Cc2ccc(-c3ccc4ncc(-c5cc6ccccc6s5)n4n3)cc2)CC1.COc1cccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)c1OC.COc1cccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)n1.

What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(6-methoxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazine?

The InChIKey is OTEUOHSFLRCJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5S.C22H18N4O2S.C20H15N5OS/c1-29-12-14-30(15-13-29)18-19-6-8-20(9-7-19)22-10-11-26-27-17-23(31(26)28-22)25-16-21-4-2-3-5-24(21)32-25;1-27-17-8-5-7-15(22(17)28-2)24-20-10-11-21-23-13-16(26(21)25-20)19-12-14-6-3-4-9-18(14)29-19;1-26-20-8-4-7-17(23-20)22-18-9-10-19-21-12-14(25(19)24-18)16-11-13-5-2-3-6-15(13)27-16/h2-11,16-17H,12-15,18H2,1H3;3-13H,1-2H3,(H,24,25);2-12H,1H3,(H,22,23,24).

What are the key properties of 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(6-methoxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazine?

3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(6-methoxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 1215.51 g/mol, XLogP of 15.16, 13 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzothiophen-2-yl)-N-(2,3-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(6-methoxy-2-pyridinyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 144699028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).