(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(3H-pyrrol-2-yl)piperazin-1-yl]methanone

C89H107N27O6S5 — CID 158204153

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(3H-pyrrol-2-yl)piperazin-1-yl]methanone

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(3H-pyrrol-2-yl)piperazin-1-yl]methanone (PubChem CID 158204153) has the molecular formula C89H107N27O6S5 and a molecular weight of 1811.35 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(3H-pyrrol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(3H-pyrrol-2-yl)piperazin-1-yl]methanone
• PubChem CID: 158204153
• Molecular Formula: C89H107N27O6S5
• Molecular Weight: 1811.35 g/mol
• Exact Mass: 1809.75
• IUPAC Name: (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(3H-pyrrol-2-yl)piperazin-1-yl]methanone
• SMILES: CCC1CN(C(=O)c2sc3nnc(C)c(C)c3c2N)CCN1.Cc1nnc2sc(C(=O)N3CCC(O)(c4ccncc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCCN(c4ccccc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCN(C4=NC=CC4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCN(c4cccn4C)CC3)c(N)c2c1C
• InChI: InChI=1S/C20H23N5OS.C19H21N5O2S.C18H22N6OS.C17H20N6OS.C15H21N5OS/c1-13-14(2)22-23-19-16(13)17(21)18(27-19)20(26)25-10-6-9-24(11-12-25)15-7-4-3-5-8-15;1-11-12(2)22-23-17-14(11)15(20)16(27-17)18(25)24-9-5-19(26,6-10-24)13-3-7-21-8-4-13;1-11-12(2)20-21-17-14(11)15(19)16(26-17)18(25)24-9-7-23(8-10-24)13-5-4-6-22(13)3;1-10-11(2)20-21-16-13(10)14(18)15(25-16)17(24)23-8-6-22(7-9-23)12-4-3-5-19-12;1-4-10-7-20(6-5-17-10)15(21)13-12(16)11-8(2)9(3)18-19-14(11)22-13/h3-5,7-8H,6,9-12,21H2,1-2H3;3-4,7-8,26H,5-6,9-10,20H2,1-2H3;4-6H,7-10,19H2,1-3H3;3,5H,4,6-9,18H2,1-2H3;10,17H,4-7,16H2,1-3H3
• InChIKey: GBHFSXUIOWSMKZ-UHFFFAOYSA-N
• XLogP: 11.52
• TPSA: 432.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 9
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1811.35
LogP ≤ 5	11.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(3H-pyrrol-2-yl)piperazin-1-yl]methanone?

The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(3H-pyrrol-2-yl)piperazin-1-yl]methanone (CID 158204153) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(3H-pyrrol-2-yl)piperazin-1-yl]methanone.

What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(3H-pyrrol-2-yl)piperazin-1-yl]methanone?

The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(3H-pyrrol-2-yl)piperazin-1-yl]methanone is CCC1CN(C(=O)c2sc3nnc(C)c(C)c3c2N)CCN1.Cc1nnc2sc(C(=O)N3CCC(O)(c4ccncc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCCN(c4ccccc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCN(C4=NC=CC4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCN(c4cccn4C)CC3)c(N)c2c1C.

What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(3H-pyrrol-2-yl)piperazin-1-yl]methanone?

The InChIKey is GBHFSXUIOWSMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS.C19H21N5O2S.C18H22N6OS.C17H20N6OS.C15H21N5OS/c1-13-14(2)22-23-19-16(13)17(21)18(27-19)20(26)25-10-6-9-24(11-12-25)15-7-4-3-5-8-15;1-11-12(2)22-23-17-14(11)15(20)16(27-17)18(25)24-9-5-19(26,6-10-24)13-3-7-21-8-4-13;1-11-12(2)20-21-17-14(11)15(19)16(26-17)18(25)24-9-7-23(8-10-24)13-5-4-6-22(13)3;1-10-11(2)20-21-16-13(10)14(18)15(25-16)17(24)23-8-6-22(7-9-23)12-4-3-5-19-12;1-4-10-7-20(6-5-17-10)15(21)13-12(16)11-8(2)9(3)18-19-14(11)22-13/h3-5,7-8H,6,9-12,21H2,1-2H3;3-4,7-8,26H,5-6,9-10,20H2,1-2H3;4-6H,7-10,19H2,1-3H3;3,5H,4,6-9,18H2,1-2H3;10,17H,4-7,16H2,1-3H3.

What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(3H-pyrrol-2-yl)piperazin-1-yl]methanone?

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(3H-pyrrol-2-yl)piperazin-1-yl]methanone has a molecular weight of 1811.35 g/mol, XLogP of 11.52, 9 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethylpiperazin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-phenyl-1,4-diazepan-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(3H-pyrrol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 158204153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).