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

C100H103F2N25O8S6 — CID 158114463

About 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]naphthalene-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-ethynyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(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-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]naphthalene-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-ethynyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(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 (PubChem CID 158114463) has the molecular formula C100H103F2N25O8S6 and a molecular weight of 2013.49 g/mol. Its IUPAC name is 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]naphthalene-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-ethynyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(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.

Molecular Properties

• Compound Name: 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]naphthalene-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-ethynyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(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
• PubChem CID: 158114463
• Molecular Formula: C100H103F2N25O8S6
• Molecular Weight: 2013.49 g/mol
• Exact Mass: 2011.67
• IUPAC Name: 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]naphthalene-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-ethynyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(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
• SMILES: C#Cc1ccc(N2CC3CN(C(=O)c4sc5nnc(C)c(C)c5c4N)CC3C2)cn1.Cc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1cccc(N2CC3CN(C(=O)c4sc5nnc(C)c(C)c5c4N)CC3C2)n1.Cc1nnc2sc(C(=O)N3CC(NS(=O)(=O)c4cccc5ccccc45)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(OC(C)(F)F)cc3)c(N)c2c1C
• InChI: InChI=1S/C22H22N6OS.C22H21N5O3S2.C21H24N6OS.C18H18F2N4O2S.C17H18N4OS/c1-4-16-5-6-17(7-24-16)27-8-14-10-28(11-15(14)9-27)22(29)20-19(23)18-12(2)13(3)25-26-21(18)30-20;1-12-13(2)24-25-21-18(12)19(23)20(31-21)22(28)27-10-15(11-27)26-32(29,30)17-9-5-7-14-6-3-4-8-16(14)17;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;1-9-10(2)23-24-17-13(9)14(21)15(27-17)16(25)22-8-11-4-6-12(7-5-11)26-18(3,19)20;1-9-4-6-12(7-5-9)8-19-16(22)15-14(18)13-10(2)11(3)20-21-17(13)23-15/h1,5-7,14-15H,8-11,23H2,2-3H3;3-9,15,26H,10-11,23H2,1-2H3;4-6,14-15H,7-10,22H2,1-3H3;4-7H,8,21H2,1-3H3,(H,22,25);4-7H,8,18H2,1-3H3,(H,19,22)
• InChIKey: FQVDUOZRCYZADR-UHFFFAOYSA-N
• XLogP: 15.06
• TPSA: 465.79 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2013.49
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]naphthalene-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-ethynyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(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?

The IUPAC name of 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]naphthalene-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-ethynyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(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 (CID 158114463) is 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]naphthalene-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-ethynyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(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.

What is the SMILES notation for 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]naphthalene-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-ethynyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(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?

The canonical SMILES for 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]naphthalene-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-ethynyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(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 is C#Cc1ccc(N2CC3CN(C(=O)c4sc5nnc(C)c(C)c5c4N)CC3C2)cn1.Cc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1cccc(N2CC3CN(C(=O)c4sc5nnc(C)c(C)c5c4N)CC3C2)n1.Cc1nnc2sc(C(=O)N3CC(NS(=O)(=O)c4cccc5ccccc45)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(OC(C)(F)F)cc3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]naphthalene-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-ethynyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(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?

The InChIKey is FQVDUOZRCYZADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS.C22H21N5O3S2.C21H24N6OS.C18H18F2N4O2S.C17H18N4OS/c1-4-16-5-6-17(7-24-16)27-8-14-10-28(11-15(14)9-27)22(29)20-19(23)18-12(2)13(3)25-26-21(18)30-20;1-12-13(2)24-25-21-18(12)19(23)20(31-21)22(28)27-10-15(11-27)26-32(29,30)17-9-5-7-14-6-3-4-8-16(14)17;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;1-9-10(2)23-24-17-13(9)14(21)15(27-17)16(25)22-8-11-4-6-12(7-5-11)26-18(3,19)20;1-9-4-6-12(7-5-9)8-19-16(22)15-14(18)13-10(2)11(3)20-21-17(13)23-15/h1,5-7,14-15H,8-11,23H2,2-3H3;3-9,15,26H,10-11,23H2,1-2H3;4-6,14-15H,7-10,22H2,1-3H3;4-7H,8,21H2,1-3H3,(H,22,25);4-7H,8,18H2,1-3H3,(H,19,22).

What are the key properties of 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]naphthalene-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-ethynyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(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-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]naphthalene-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-ethynyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(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 has a molecular weight of 2013.49 g/mol, XLogP of 15.06, 16 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]naphthalene-1-sulfonamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-ethynyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(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 is sourced from PubChem (CID 158114463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).