5-amino-3,4-dimethyl-N-quinolin-3-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide

C91H99N25O6S6 — CID 158375369

About 5-amino-3,4-dimethyl-N-quinolin-3-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide

5-amino-3,4-dimethyl-N-quinolin-3-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide (PubChem CID 158375369) has the molecular formula C91H99N25O6S6 and a molecular weight of 1831.36 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-quinolin-3-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3,4-dimethyl-N-quinolin-3-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide
• PubChem CID: 158375369
• Molecular Formula: C91H99N25O6S6
• Molecular Weight: 1831.36 g/mol
• Exact Mass: 1829.65
• IUPAC Name: 5-amino-3,4-dimethyl-N-quinolin-3-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide
• SMILES: C=S1(=O)CCC(NC(=O)c2sc3nnc4c(c3c2N)CCCC4)C1.Cc1ccc(N2CCN(C(=O)c3sc4nnc(C)c(C)c4c3N)CC2)nc1.Cc1nnc2sc(C(=O)N3CCCC(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCN(c4ccccn4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)Nc3cnc4ccccc4c3)c(N)c2c1C
• InChI: InChI=1S/C20H22N4OS.C19H22N6OS.C18H20N6OS.C18H15N5OS.C16H20N4O2S2/c1-12-13(2)22-23-19-16(12)17(21)18(26-19)20(25)24-10-6-9-15(11-24)14-7-4-3-5-8-14;1-11-4-5-14(21-10-11)24-6-8-25(9-7-24)19(26)17-16(20)15-12(2)13(3)22-23-18(15)27-17;1-11-12(2)21-22-17-14(11)15(19)16(26-17)18(25)24-9-7-23(8-10-24)13-5-3-4-6-20-13;1-9-10(2)22-23-18-14(9)15(19)16(25-18)17(24)21-12-7-11-5-3-4-6-13(11)20-8-12;1-24(22)7-6-9(8-24)18-15(21)14-13(17)12-10-4-2-3-5-11(10)19-20-16(12)23-14/h3-5,7-8,15H,6,9-11,21H2,1-2H3;4-5,10H,6-9,20H2,1-3H3;3-6H,7-10,19H2,1-2H3;3-8H,19H2,1-2H3,(H,21,24);9H,1-8,17H2,(H,18,21)
• InChIKey: GVCUDZHFUDIOIS-UHFFFAOYSA-N
• XLogP: 13.78
• TPSA: 440.35 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 10
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1831.36
LogP ≤ 5	13.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4-dimethyl-N-quinolin-3-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?

The IUPAC name of 5-amino-3,4-dimethyl-N-quinolin-3-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide (CID 158375369) is 5-amino-3,4-dimethyl-N-quinolin-3-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide.

What is the SMILES notation for 5-amino-3,4-dimethyl-N-quinolin-3-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?

The canonical SMILES for 5-amino-3,4-dimethyl-N-quinolin-3-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide is C=S1(=O)CCC(NC(=O)c2sc3nnc4c(c3c2N)CCCC4)C1.Cc1ccc(N2CCN(C(=O)c3sc4nnc(C)c(C)c4c3N)CC2)nc1.Cc1nnc2sc(C(=O)N3CCCC(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCN(c4ccccn4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)Nc3cnc4ccccc4c3)c(N)c2c1C.

What is the InChIKey of 5-amino-3,4-dimethyl-N-quinolin-3-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?

The InChIKey is GVCUDZHFUDIOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS.C19H22N6OS.C18H20N6OS.C18H15N5OS.C16H20N4O2S2/c1-12-13(2)22-23-19-16(12)17(21)18(26-19)20(25)24-10-6-9-15(11-24)14-7-4-3-5-8-14;1-11-4-5-14(21-10-11)24-6-8-25(9-7-24)19(26)17-16(20)15-12(2)13(3)22-23-18(15)27-17;1-11-12(2)21-22-17-14(11)15(19)16(26-17)18(25)24-9-7-23(8-10-24)13-5-3-4-6-20-13;1-9-10(2)22-23-18-14(9)15(19)16(25-18)17(24)21-12-7-11-5-3-4-6-13(11)20-8-12;1-24(22)7-6-9(8-24)18-15(21)14-13(17)12-10-4-2-3-5-11(10)19-20-16(12)23-14/h3-5,7-8,15H,6,9-11,21H2,1-2H3;4-5,10H,6-9,20H2,1-3H3;3-6H,7-10,19H2,1-2H3;3-8H,19H2,1-2H3,(H,21,24);9H,1-8,17H2,(H,18,21).

What are the key properties of 5-amino-3,4-dimethyl-N-quinolin-3-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?

5-amino-3,4-dimethyl-N-quinolin-3-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide has a molecular weight of 1831.36 g/mol, XLogP of 13.78, 10 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3,4-dimethyl-N-quinolin-3-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide is sourced from PubChem (CID 158375369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).