5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclohexanecarboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C98H119FN24O8S6 — CID 158325862

About 5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclohexanecarboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclohexanecarboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 158325862) has the molecular formula C98H119FN24O8S6 and a molecular weight of 1972.59 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclohexanecarboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclohexanecarboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 158325862
• Molecular Formula: C98H119FN24O8S6
• Molecular Weight: 1972.59 g/mol
• Exact Mass: 1970.80
• IUPAC Name: 5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclohexanecarboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: Cc1nnc2sc(C(=O)N3CCC(NC(=O)C4CC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCC(NC(=O)C4CCCCC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(CN4CCCC4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(CN4CCCCC4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)C(C)F)cc3)c(N)c2c1C
• InChI: InChI=1S/C22H27N5OS.C21H25N5OS.C20H27N5O2S.C18H19FN4O2S2.C17H21N5O2S/c1-14-15(2)25-26-22-18(14)19(23)20(29-22)21(28)24-12-16-6-8-17(9-7-16)13-27-10-4-3-5-11-27;1-13-14(2)24-25-21-17(13)18(22)19(28-21)20(27)23-11-15-5-7-16(8-6-15)12-26-9-3-4-10-26;1-11-12(2)23-24-19-15(11)16(21)17(28-19)20(27)25-9-8-14(10-25)22-18(26)13-6-4-3-5-7-13;1-9-10(2)22-23-18-14(9)15(20)16(26-18)17(24)21-8-12-4-6-13(7-5-12)27(25)11(3)19;1-8-9(2)20-21-16-12(8)13(18)14(25-16)17(24)22-6-5-11(7-22)19-15(23)10-3-4-10/h6-9H,3-5,10-13,23H2,1-2H3,(H,24,28);5-8H,3-4,9-12,22H2,1-2H3,(H,23,27);13-14H,3-10,21H2,1-2H3,(H,22,26);4-7,11H,8,20H2,1-3H3,(H,21,24);10-11H,3-7,18H2,1-2H3,(H,19,23)
• InChIKey: GPJWYVRWUVMNCI-UHFFFAOYSA-N
• XLogP: 14.90
• TPSA: 468.67 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1972.59
LogP ≤ 5	14.90
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclohexanecarboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclohexanecarboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 158325862) is 5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclohexanecarboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclohexanecarboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclohexanecarboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is Cc1nnc2sc(C(=O)N3CCC(NC(=O)C4CC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCC(NC(=O)C4CCCCC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(CN4CCCC4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(CN4CCCCC4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)C(C)F)cc3)c(N)c2c1C.

What is the InChIKey of 5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclohexanecarboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is GPJWYVRWUVMNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS.C21H25N5OS.C20H27N5O2S.C18H19FN4O2S2.C17H21N5O2S/c1-14-15(2)25-26-22-18(14)19(23)20(29-22)21(28)24-12-16-6-8-17(9-7-16)13-27-10-4-3-5-11-27;1-13-14(2)24-25-21-17(13)18(22)19(28-21)20(27)23-11-15-5-7-16(8-6-15)12-26-9-3-4-10-26;1-11-12(2)23-24-19-15(11)16(21)17(28-19)20(27)25-9-8-14(10-25)22-18(26)13-6-4-3-5-7-13;1-9-10(2)22-23-18-14(9)15(20)16(26-18)17(24)21-8-12-4-6-13(7-5-12)27(25)11(3)19;1-8-9(2)20-21-16-12(8)13(18)14(25-16)17(24)22-6-5-11(7-22)19-15(23)10-3-4-10/h6-9H,3-5,10-13,23H2,1-2H3,(H,24,28);5-8H,3-4,9-12,22H2,1-2H3,(H,23,27);13-14H,3-10,21H2,1-2H3,(H,22,26);4-7,11H,8,20H2,1-3H3,(H,21,24);10-11H,3-7,18H2,1-2H3,(H,19,23).

What are the key properties of 5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclohexanecarboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclohexanecarboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 1972.59 g/mol, XLogP of 14.90, 21 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclohexanecarboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide;5-amino-N-[[4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 158325862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).