N-(2-adamantyl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxetan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone

C137H153F2N33O12S9 — CID 158033641

About N-(2-adamantyl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxetan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone

N-(2-adamantyl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxetan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone (PubChem CID 158033641) has the molecular formula C137H153F2N33O12S9 and a molecular weight of 2780.55 g/mol. Its IUPAC name is N-(2-adamantyl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxetan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

• Compound Name: N-(2-adamantyl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxetan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone
• PubChem CID: 158033641
• Molecular Formula: C137H153F2N33O12S9
• Molecular Weight: 2780.55 g/mol
• Exact Mass: 2777.98
• IUPAC Name: N-(2-adamantyl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxetan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone
• SMILES: CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)N3CCC(O)(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3Cc4ccccc4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3C4CC5CC(C4)CC3C5)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccccc4OC(C)(F)F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3COC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCC(C)(C)C)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)CCO4)c(N)c2c1C
• InChI: InChI=1S/C21H23F2N5O2S.C19H20N4O2S.C19H24N4OS.C18H18N4O2S.C17H18N4OS2.C17H16N4OS.C14H20N4OS.C12H14N4O2S/c1-11-12(2)26-27-20-16(11)17(24)18(31-20)19(29)25-13-8-9-28(10-13)14-6-4-5-7-15(14)30-21(3,22)23;1-11-12(2)21-22-17-14(11)15(20)16(26-17)18(24)23-9-8-19(25,10-23)13-6-4-3-5-7-13;1-8-9(2)22-23-19-14(8)15(20)17(25-19)18(24)21-16-12-4-10-3-11(6-12)7-13(16)5-10;1-9-10(2)21-22-18-14(9)15(19)16(25-18)17(23)20-8-11-3-4-13-12(7-11)5-6-24-13;1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11;1-9-10(2)19-20-16-13(9)14(18)15(23-16)17(22)21-7-11-5-3-4-6-12(11)8-21;1-7-8(2)17-18-13-9(7)10(15)11(20-13)12(19)16-6-14(3,4)5;1-5-6(2)15-16-12-8(5)9(13)10(19-12)11(17)14-7-3-18-4-7/h4-7,13H,8-10,24H2,1-3H3,(H,25,29);3-7,25H,8-10,20H2,1-2H3;10-13,16H,3-7,20H2,1-2H3,(H,21,24);3-4,7H,5-6,8,19H2,1-2H3,(H,20,23);4-7H,8,18H2,1-3H3,(H,19,22);3-6H,7-8,18H2,1-2H3;6,15H2,1-5H3,(H,16,19);7H,3-4,13H2,1-2H3,(H,14,17)
• InChIKey: FHMDPBYDCZVADK-UHFFFAOYSA-N
• XLogP: 22.99
• TPSA: 680.78 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 46
• Rotatable Bonds: 21
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2780.55
LogP ≤ 5	22.99
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxetan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone?

The IUPAC name of N-(2-adamantyl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxetan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone (CID 158033641) is N-(2-adamantyl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxetan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone.

What is the SMILES notation for N-(2-adamantyl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxetan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone?

The canonical SMILES for N-(2-adamantyl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxetan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone is CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)N3CCC(O)(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3Cc4ccccc4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3C4CC5CC(C4)CC3C5)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccccc4OC(C)(F)F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3COC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCC(C)(C)C)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)CCO4)c(N)c2c1C.

What is the InChIKey of N-(2-adamantyl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxetan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone?

The InChIKey is FHMDPBYDCZVADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O2S.C19H20N4O2S.C19H24N4OS.C18H18N4O2S.C17H18N4OS2.C17H16N4OS.C14H20N4OS.C12H14N4O2S/c1-11-12(2)26-27-20-16(11)17(24)18(31-20)19(29)25-13-8-9-28(10-13)14-6-4-5-7-15(14)30-21(3,22)23;1-11-12(2)21-22-17-14(11)15(20)16(26-17)18(24)23-9-8-19(25,10-23)13-6-4-3-5-7-13;1-8-9(2)22-23-19-14(8)15(20)17(25-19)18(24)21-16-12-4-10-3-11(6-12)7-13(16)5-10;1-9-10(2)21-22-18-14(9)15(19)16(25-18)17(23)20-8-11-3-4-13-12(7-11)5-6-24-13;1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11;1-9-10(2)19-20-16-13(9)14(18)15(23-16)17(22)21-7-11-5-3-4-6-12(11)8-21;1-7-8(2)17-18-13-9(7)10(15)11(20-13)12(19)16-6-14(3,4)5;1-5-6(2)15-16-12-8(5)9(13)10(19-12)11(17)14-7-3-18-4-7/h4-7,13H,8-10,24H2,1-3H3,(H,25,29);3-7,25H,8-10,20H2,1-2H3;10-13,16H,3-7,20H2,1-2H3,(H,21,24);3-4,7H,5-6,8,19H2,1-2H3,(H,20,23);4-7H,8,18H2,1-3H3,(H,19,22);3-6H,7-8,18H2,1-2H3;6,15H2,1-5H3,(H,16,19);7H,3-4,13H2,1-2H3,(H,14,17).

What are the key properties of N-(2-adamantyl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxetan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone?

N-(2-adamantyl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxetan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 2780.55 g/mol, XLogP of 22.99, 21 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-adamantyl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxetan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 158033641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).