5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyrazin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone

C133H144N40O12S10 — CID 162064718

About 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyrazin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone

5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyrazin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 162064718) has the molecular formula C133H144N40O12S10 and a molecular weight of 2815.55 g/mol. Its IUPAC name is 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyrazin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

• Compound Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyrazin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
• PubChem CID: 162064718
• Molecular Formula: C133H144N40O12S10
• Molecular Weight: 2815.55 g/mol
• Exact Mass: 2812.91
• IUPAC Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyrazin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
• SMILES: Cc1cccc(N2CCC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1cccc(N2CCC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)N3C[C@@H]4C[C@@H]3CN4S(C)(=O)=O)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccncc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)OCO4)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3cnccn3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3nccs3)c(N)c2c1C
• InChI: InChI=1S/2C20H23N5OS.C18H20N6OS.C17H16N4O3S.C16H16N4OS.C15H19N5O3S2.C14H14N6OS.C13H13N5OS2/c2*1-11-5-4-6-15(9-11)25-8-7-14(10-25)22-19(26)18-17(21)16-12(2)13(3)23-24-20(16)27-18;1-10-11(2)22-23-18-14(10)15(19)16(26-18)17(25)21-12-5-8-24(9-12)13-3-6-20-7-4-13;1-8-9(2)20-21-17-13(8)14(18)15(25-17)16(22)19-6-10-3-4-11-12(5-10)24-7-23-11;1-9-10(2)19-20-16-12(9)13(17)14(22-16)15(21)18-8-11-6-4-3-5-7-11;1-7-8(2)17-18-14-11(7)12(16)13(24-14)15(21)19-5-10-4-9(19)6-20(10)25(3,22)23;1-7-8(2)19-20-14-10(7)11(15)12(22-14)13(21)18-6-9-5-16-3-4-17-9;1-6-7(2)17-18-13-9(6)10(14)11(21-13)12(19)16-5-8-15-3-4-20-8/h2*4-6,9,14H,7-8,10,21H2,1-3H3,(H,22,26);3-4,6-7,12H,5,8-9,19H2,1-2H3,(H,21,25);3-5H,6-7,18H2,1-2H3,(H,19,22);3-7H,8,17H2,1-2H3,(H,18,21);9-10H,4-6,16H2,1-3H3;3-5H,6,15H2,1-2H3,(H,18,21);3-4H,5,14H2,1-2H3,(H,16,19)/t;;;;;9-,10+;;/m.....1../s1
• InChIKey: ZAHPGRYKNYRDCN-QPRBQWDRSA-N
• XLogP: 18.71
• TPSA: 755.53 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 52
• Rotatable Bonds: 23
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2815.55
LogP ≤ 5	18.71
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyrazin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?

The IUPAC name of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyrazin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone (CID 162064718) is 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyrazin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone.

What is the SMILES notation for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyrazin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?

The canonical SMILES for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyrazin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone is Cc1cccc(N2CCC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1cccc(N2CCC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)N3C[C@@H]4C[C@@H]3CN4S(C)(=O)=O)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccncc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)OCO4)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3cnccn3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3nccs3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyrazin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?

The InChIKey is ZAHPGRYKNYRDCN-QPRBQWDRSA-N. The full InChI is InChI=1S/2C20H23N5OS.C18H20N6OS.C17H16N4O3S.C16H16N4OS.C15H19N5O3S2.C14H14N6OS.C13H13N5OS2/c2*1-11-5-4-6-15(9-11)25-8-7-14(10-25)22-19(26)18-17(21)16-12(2)13(3)23-24-20(16)27-18;1-10-11(2)22-23-18-14(10)15(19)16(26-18)17(25)21-12-5-8-24(9-12)13-3-6-20-7-4-13;1-8-9(2)20-21-17-13(8)14(18)15(25-17)16(22)19-6-10-3-4-11-12(5-10)24-7-23-11;1-9-10(2)19-20-16-12(9)13(17)14(22-16)15(21)18-8-11-6-4-3-5-7-11;1-7-8(2)17-18-14-11(7)12(16)13(24-14)15(21)19-5-10-4-9(19)6-20(10)25(3,22)23;1-7-8(2)19-20-14-10(7)11(15)12(22-14)13(21)18-6-9-5-16-3-4-17-9;1-6-7(2)17-18-13-9(6)10(14)11(21-13)12(19)16-5-8-15-3-4-20-8/h2*4-6,9,14H,7-8,10,21H2,1-3H3,(H,22,26);3-4,6-7,12H,5,8-9,19H2,1-2H3,(H,21,25);3-5H,6-7,18H2,1-2H3,(H,19,22);3-7H,8,17H2,1-2H3,(H,18,21);9-10H,4-6,16H2,1-3H3;3-5H,6,15H2,1-2H3,(H,18,21);3-4H,5,14H2,1-2H3,(H,16,19)/t;;;;;9-,10+;;/m.....1../s1.

What are the key properties of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyrazin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?

5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyrazin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 2815.55 g/mol, XLogP of 18.71, 23 rotatable bonds, 15 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyrazin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 162064718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).