5-amino-3,4-dimethyl-N-[[4-(morpholin-4-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;bis(5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide)

C101H116F6N24O7S5 — CID 161178484

About 5-amino-3,4-dimethyl-N-[[4-(morpholin-4-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;bis(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-[[4-(morpholin-4-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;bis(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 161178484) has the molecular formula C101H116F6N24O7S5 and a molecular weight of 2052.52 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-[[4-(morpholin-4-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;bis(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 Name: 5-amino-3,4-dimethyl-N-[[4-(morpholin-4-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;bis(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: 161178484
• Molecular Formula: C101H116F6N24O7S5
• Molecular Weight: 2052.52 g/mol
• Exact Mass: 2050.80
• IUPAC Name: 5-amino-3,4-dimethyl-N-[[4-(morpholin-4-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;bis(5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide)
• SMILES: 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(C(C)(C)C(F)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(CN4CCOCC4)cc3)c(N)c2c1C
• InChI: InChI=1S/C21H24N6OS.C21H25N5O2S.2C20H21F3N4OS.C19H25N5O2S/c1-11-5-4-6-16(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;1-13-14(2)24-25-21-17(13)18(22)19(29-21)20(27)23-11-15-3-5-16(6-4-15)12-26-7-9-28-10-8-26;2*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/h4-6,14-15H,7-10,22H2,1-3H3;3-6H,7-12,22H2,1-2H3,(H,23,27);2*5-8H,9,24H2,1-4H3,(H,25,28);12-13H,3-9,20H2,1-2H3,(H,21,25)
• InChIKey: USCZZZMJNPGDBU-UHFFFAOYSA-N
• XLogP: 17.19
• TPSA: 444.62 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2052.52
LogP ≤ 5	17.19
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4-dimethyl-N-[[4-(morpholin-4-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;bis(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-[[4-(morpholin-4-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;bis(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 161178484) is 5-amino-3,4-dimethyl-N-[[4-(morpholin-4-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;bis(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-[[4-(morpholin-4-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;bis(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-[[4-(morpholin-4-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;bis(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 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(C(C)(C)C(F)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(CN4CCOCC4)cc3)c(N)c2c1C.

What is the InChIKey of 5-amino-3,4-dimethyl-N-[[4-(morpholin-4-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;bis(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 USCZZZMJNPGDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS.C21H25N5O2S.2C20H21F3N4OS.C19H25N5O2S/c1-11-5-4-6-16(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;1-13-14(2)24-25-21-17(13)18(22)19(29-21)20(27)23-11-15-3-5-16(6-4-15)12-26-7-9-28-10-8-26;2*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/h4-6,14-15H,7-10,22H2,1-3H3;3-6H,7-12,22H2,1-2H3,(H,23,27);2*5-8H,9,24H2,1-4H3,(H,25,28);12-13H,3-9,20H2,1-2H3,(H,21,25).

What are the key properties of 5-amino-3,4-dimethyl-N-[[4-(morpholin-4-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;bis(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-[[4-(morpholin-4-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;bis(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 2052.52 g/mol, XLogP of 17.19, 18 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-[[4-(morpholin-4-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;bis(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 161178484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).