5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[[4-(1-fluoroethoxy)phenyl]carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

C138H148F6N34O16S8 — CID 158510304

About 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[[4-(1-fluoroethoxy)phenyl]carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[[4-(1-fluoroethoxy)phenyl]carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (PubChem CID 158510304) has the molecular formula C138H148F6N34O16S8 and a molecular weight of 2909.45 g/mol. Its IUPAC name is 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[[4-(1-fluoroethoxy)phenyl]carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[[4-(1-fluoroethoxy)phenyl]carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
• PubChem CID: 158510304
• Molecular Formula: C138H148F6N34O16S8
• Molecular Weight: 2909.45 g/mol
• Exact Mass: 2906.95
• IUPAC Name: 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[[4-(1-fluoroethoxy)phenyl]carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
• SMILES: Cc1ccccc1OC(=O)N1CC(NC(=O)c2sc3nnc(C)c(C)c3c2N)C1.Cc1nnc2sc(C(=O)N3CCCC(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)Nc4ccc(OC(C)F)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)Nc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNC(=O)c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(C(C)(O)C(C)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(C)C(F)(F)F)cc3)c(N)c2c1C
• InChI: InChI=1S/C21H23FN6O3S.C20H21F3N4O3S2.C20H22F2N4O2S.C20H21N5O3S.C20H22N4OS.C19H20N6O2S.C18H19N5O2S/c1-10-11(2)26-27-20-16(10)17(23)18(32-20)19(29)24-14-8-28(9-14)21(30)25-13-4-6-15(7-5-13)31-12(3)22;1-10-11(2)26-27-18-14(10)15(24)16(31-18)17(28)25-9-12-5-7-13(8-6-12)32(29,30)19(3,4)20(21,22)23;1-10-11(2)25-26-18-14(10)15(23)16(29-18)17(27)24-9-12-5-7-13(8-6-12)19(3,28)20(4,21)22;1-10-6-4-5-7-14(10)28-20(27)25-8-13(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)29-17;1-12-13(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;1-10-11(2)23-24-18-14(10)15(20)16(28-18)17(26)21-13-8-25(9-13)19(27)22-12-6-4-3-5-7-12;1-10-11(2)22-23-18-13(10)14(19)15(26-18)17(25)21-9-8-20-16(24)12-6-4-3-5-7-12/h4-7,12,14H,8-9,23H2,1-3H3,(H,24,29)(H,25,30);5-8H,9,24H2,1-4H3,(H,25,28);5-8,28H,9,23H2,1-4H3,(H,24,27);4-7,13H,8-9,21H2,1-3H3,(H,22,26);3-5,7-8,15H,6,9-11,21H2,1-2H3;3-7,13H,8-9,20H2,1-2H3,(H,21,26)(H,22,27);3-7H,8-9,19H2,1-2H3,(H,20,24)(H,21,25)
• InChIKey: HKYVQASGHQRZDR-UHFFFAOYSA-N
• XLogP: 22.16
• TPSA: 744.43 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 44
• Rotatable Bonds: 28
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2909.45
LogP ≤ 5	22.16
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[[4-(1-fluoroethoxy)phenyl]carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The IUPAC name of 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[[4-(1-fluoroethoxy)phenyl]carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (CID 158510304) is 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[[4-(1-fluoroethoxy)phenyl]carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

What is the SMILES notation for 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[[4-(1-fluoroethoxy)phenyl]carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The canonical SMILES for 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[[4-(1-fluoroethoxy)phenyl]carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is Cc1ccccc1OC(=O)N1CC(NC(=O)c2sc3nnc(C)c(C)c3c2N)C1.Cc1nnc2sc(C(=O)N3CCCC(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)Nc4ccc(OC(C)F)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)Nc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNC(=O)c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(C(C)(O)C(C)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(C)C(F)(F)F)cc3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[[4-(1-fluoroethoxy)phenyl]carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The InChIKey is HKYVQASGHQRZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O3S.C20H21F3N4O3S2.C20H22F2N4O2S.C20H21N5O3S.C20H22N4OS.C19H20N6O2S.C18H19N5O2S/c1-10-11(2)26-27-20-16(10)17(23)18(32-20)19(29)24-14-8-28(9-14)21(30)25-13-4-6-15(7-5-13)31-12(3)22;1-10-11(2)26-27-18-14(10)15(24)16(31-18)17(28)25-9-12-5-7-13(8-6-12)32(29,30)19(3,4)20(21,22)23;1-10-11(2)25-26-18-14(10)15(23)16(29-18)17(27)24-9-12-5-7-13(8-6-12)19(3,28)20(4,21)22;1-10-6-4-5-7-14(10)28-20(27)25-8-13(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)29-17;1-12-13(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;1-10-11(2)23-24-18-14(10)15(20)16(28-18)17(26)21-13-8-25(9-13)19(27)22-12-6-4-3-5-7-12;1-10-11(2)22-23-18-13(10)14(19)15(26-18)17(25)21-9-8-20-16(24)12-6-4-3-5-7-12/h4-7,12,14H,8-9,23H2,1-3H3,(H,24,29)(H,25,30);5-8H,9,24H2,1-4H3,(H,25,28);5-8,28H,9,23H2,1-4H3,(H,24,27);4-7,13H,8-9,21H2,1-3H3,(H,22,26);3-5,7-8,15H,6,9-11,21H2,1-2H3;3-7,13H,8-9,20H2,1-2H3,(H,21,26)(H,22,27);3-7H,8-9,19H2,1-2H3,(H,20,24)(H,21,25).

What are the key properties of 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[[4-(1-fluoroethoxy)phenyl]carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[[4-(1-fluoroethoxy)phenyl]carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate has a molecular weight of 2909.45 g/mol, XLogP of 22.16, 28 rotatable bonds, 17 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[[4-(1-fluoroethoxy)phenyl]carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 158510304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).