5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[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;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide

C98H114F3N25O6S5 — CID 162258056

IUPAC5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[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;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cn1.Cc1cccc(N2CC3CN(C(=O)c4sc5nnc(C)c(C)c5c4N)CC3C2)n1.Cc1nnc2sc(C(=O)N3CC(NC(=O)C4CCCCC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(C(C)(C)C(F)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(CN4CCCCC4)cc3)c(N)c2c1C
InChIInChI=1S/C22H27N5OS.C21H24N6OS.C20H21F3N4OS.C19H25N5O2S.C16H17N5OS/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;1-11-5-4-6-16(23-11)26-7-14-9-27(10-15(14)8-26)21(28)19-18(22)17-12(2)13(3)24-25-20(17)29-19;1-10-11(2)26-27-18-14(10)15(24)16(29-18)17(28)25-9-12-5-7-13(8-6-12)19(3,4)20(21,22)23;1-10-11(2)22-23-18-14(10)15(20)16(27-18)19(26)24-8-13(9-24)21-17(25)12-6-4-3-5-7-12;1-8-4-5-11(6-18-8)7-19-15(22)14-13(17)12-9(2)10(3)20-21-16(12)23-14/h6-9H,3-5,10-13,23H2,1-2H3,(H,24,28);4-6,14-15H,7-10,22H2,1-3H3;5-8H,9,24H2,1-4H3,(H,25,28);12-13H,3-9,20H2,1-2H3,(H,21,25);4-6H,7,17H2,1-3H3,(H,19,22)
InChIKeyZYVYQVGQWKJIAG-UHFFFAOYSA-N
MW1955.49 g/mol
LogP16.20
Rot. Bonds17

About 5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[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;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide

5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[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;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 162258056) has the molecular formula C98H114F3N25O6S5 and a molecular weight of 1955.49 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[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;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[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;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID162258056
Molecular FormulaC98H114F3N25O6S5
Molecular Weight1955.49 g/mol
Exact Mass1953.79
IUPAC Name5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[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;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cn1.Cc1cccc(N2CC3CN(C(=O)c4sc5nnc(C)c(C)c5c4N)CC3C2)n1.Cc1nnc2sc(C(=O)N3CC(NC(=O)C4CCCCC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(C(C)(C)C(F)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(CN4CCCCC4)cc3)c(N)c2c1C
InChIInChI=1S/C22H27N5OS.C21H24N6OS.C20H21F3N4OS.C19H25N5O2S.C16H17N5OS/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;1-11-5-4-6-16(23-11)26-7-14-9-27(10-15(14)8-26)21(28)19-18(22)17-12(2)13(3)24-25-20(17)29-19;1-10-11(2)26-27-18-14(10)15(24)16(29-18)17(28)25-9-12-5-7-13(8-6-12)19(3,4)20(21,22)23;1-10-11(2)22-23-18-14(10)15(20)16(27-18)19(26)24-8-13(9-24)21-17(25)12-6-4-3-5-7-12;1-8-4-5-11(6-18-8)7-19-15(22)14-13(17)12-9(2)10(3)20-21-16(12)23-14/h6-9H,3-5,10-13,23H2,1-2H3,(H,24,28);4-6,14-15H,7-10,22H2,1-3H3;5-8H,9,24H2,1-4H3,(H,25,28);12-13H,3-9,20H2,1-2H3,(H,21,25);4-6H,7,17H2,1-3H3,(H,19,22)
InChIKeyZYVYQVGQWKJIAG-UHFFFAOYSA-N
XLogP16.20
TPSA448.28 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds17
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001955.49
LogP ≤ 516.20
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze 5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[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;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[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;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[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;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide (CID 162258056) is 5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[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;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[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;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[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;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide is Cc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cn1.Cc1cccc(N2CC3CN(C(=O)c4sc5nnc(C)c(C)c5c4N)CC3C2)n1.Cc1nnc2sc(C(=O)N3CC(NC(=O)C4CCCCC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(C(C)(C)C(F)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(CN4CCCCC4)cc3)c(N)c2c1C.
What is the InChIKey of 5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[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;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is ZYVYQVGQWKJIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS.C21H24N6OS.C20H21F3N4OS.C19H25N5O2S.C16H17N5OS/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;1-11-5-4-6-16(23-11)26-7-14-9-27(10-15(14)8-26)21(28)19-18(22)17-12(2)13(3)24-25-20(17)29-19;1-10-11(2)26-27-18-14(10)15(24)16(29-18)17(28)25-9-12-5-7-13(8-6-12)19(3,4)20(21,22)23;1-10-11(2)22-23-18-14(10)15(20)16(27-18)19(26)24-8-13(9-24)21-17(25)12-6-4-3-5-7-12;1-8-4-5-11(6-18-8)7-19-15(22)14-13(17)12-9(2)10(3)20-21-16(12)23-14/h6-9H,3-5,10-13,23H2,1-2H3,(H,24,28);4-6,14-15H,7-10,22H2,1-3H3;5-8H,9,24H2,1-4H3,(H,25,28);12-13H,3-9,20H2,1-2H3,(H,21,25);4-6H,7,17H2,1-3H3,(H,19,22).
What are the key properties of 5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[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;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[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;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 1955.49 g/mol, XLogP of 16.20, 17 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[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;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 162258056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).