5-amino-3,4-dimethyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopropylmethanone;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylphenyl)methanone;5-amino-N-[(4-fluoro-3-methylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C110H129FN28O15S9 — CID 158263250

About 5-amino-3,4-dimethyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopropylmethanone;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylphenyl)methanone;5-amino-N-[(4-fluoro-3-methylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-3,4-dimethyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopropylmethanone;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylphenyl)methanone;5-amino-N-[(4-fluoro-3-methylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 158263250) has the molecular formula C110H129FN28O15S9 and a molecular weight of 2391.02 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopropylmethanone;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylphenyl)methanone;5-amino-N-[(4-fluoro-3-methylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3,4-dimethyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopropylmethanone;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylphenyl)methanone;5-amino-N-[(4-fluoro-3-methylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 158263250
• Molecular Formula: C110H129FN28O15S9
• Molecular Weight: 2391.02 g/mol
• Exact Mass: 2388.77
• IUPAC Name: 5-amino-3,4-dimethyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopropylmethanone;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylphenyl)methanone;5-amino-N-[(4-fluoro-3-methylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: Cc1ccc(C(=O)N2CC3CN(C(=O)c4sc5nnc(C)c(C)c5c4N)CC3C2)cc1.Cc1nnc2sc(C(=O)N3CC4CN(C(=O)C(C)(C)C)CC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC4CN(C(=O)C5CC5)CC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(F)c(S(C)(=O)=O)c3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)c(N)c2c1C
• InChI: InChI=1S/C23H25N5O2S.C20H27N5O2S.C19H23N5O2S.C17H17FN4O3S2.C17H18N4O3S2.C14H19N5O3S2/c1-12-4-6-15(7-5-12)22(29)27-8-16-10-28(11-17(16)9-27)23(30)20-19(24)18-13(2)14(3)25-26-21(18)31-20;1-10-11(2)22-23-17-14(10)15(21)16(28-17)18(26)24-6-12-8-25(9-13(12)7-24)19(27)20(3,4)5;1-9-10(2)21-22-17-14(9)15(20)16(27-17)19(26)24-7-12-5-23(6-13(12)8-24)18(25)11-3-4-11;1-8-9(2)21-22-17-13(8)14(19)15(26-17)16(23)20-7-10-4-5-11(18)12(6-10)27(3,24)25;1-9-10(2)20-21-17-13(9)14(18)15(25-17)16(22)19-8-11-4-6-12(7-5-11)26(3,23)24;1-7-8(2)17-18-14-10(7)11(15)12(23-14)13(20)16-9-4-5-19(6-9)24(3,21)22/h4-7,16-17H,8-11,24H2,1-3H3;12-13H,6-9,21H2,1-5H3;11-13H,3-8,20H2,1-2H3;4-6H,7,19H2,1-3H3,(H,20,23);4-7H,8,18H2,1-3H3,(H,19,22);9H,4-6,15H2,1-3H3,(H,16,20)/t;;;;;9-/m.....1/s1
• InChIKey: GIDADLUURQJBMA-PXUORYCYSA-N
• XLogP: 12.58
• TPSA: 625.62 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 16
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2391.02
LogP ≤ 5	12.58
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4-dimethyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopropylmethanone;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylphenyl)methanone;5-amino-N-[(4-fluoro-3-methylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-3,4-dimethyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopropylmethanone;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylphenyl)methanone;5-amino-N-[(4-fluoro-3-methylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 158263250) is 5-amino-3,4-dimethyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopropylmethanone;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylphenyl)methanone;5-amino-N-[(4-fluoro-3-methylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-3,4-dimethyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopropylmethanone;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylphenyl)methanone;5-amino-N-[(4-fluoro-3-methylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-3,4-dimethyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopropylmethanone;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylphenyl)methanone;5-amino-N-[(4-fluoro-3-methylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is Cc1ccc(C(=O)N2CC3CN(C(=O)c4sc5nnc(C)c(C)c5c4N)CC3C2)cc1.Cc1nnc2sc(C(=O)N3CC4CN(C(=O)C(C)(C)C)CC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC4CN(C(=O)C5CC5)CC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(F)c(S(C)(=O)=O)c3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)c(N)c2c1C.

What is the InChIKey of 5-amino-3,4-dimethyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopropylmethanone;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylphenyl)methanone;5-amino-N-[(4-fluoro-3-methylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is GIDADLUURQJBMA-PXUORYCYSA-N. The full InChI is InChI=1S/C23H25N5O2S.C20H27N5O2S.C19H23N5O2S.C17H17FN4O3S2.C17H18N4O3S2.C14H19N5O3S2/c1-12-4-6-15(7-5-12)22(29)27-8-16-10-28(11-17(16)9-27)23(30)20-19(24)18-13(2)14(3)25-26-21(18)31-20;1-10-11(2)22-23-17-14(10)15(21)16(28-17)18(26)24-6-12-8-25(9-13(12)7-24)19(27)20(3,4)5;1-9-10(2)21-22-17-14(9)15(20)16(27-17)19(26)24-7-12-5-23(6-13(12)8-24)18(25)11-3-4-11;1-8-9(2)21-22-17-13(8)14(19)15(26-17)16(23)20-7-10-4-5-11(18)12(6-10)27(3,24)25;1-9-10(2)20-21-17-13(9)14(18)15(25-17)16(22)19-8-11-4-6-12(7-5-11)26(3,23)24;1-7-8(2)17-18-14-10(7)11(15)12(23-14)13(20)16-9-4-5-19(6-9)24(3,21)22/h4-7,16-17H,8-11,24H2,1-3H3;12-13H,6-9,21H2,1-5H3;11-13H,3-8,20H2,1-2H3;4-6H,7,19H2,1-3H3,(H,20,23);4-7H,8,18H2,1-3H3,(H,19,22);9H,4-6,15H2,1-3H3,(H,16,20)/t;;;;;9-/m.....1/s1.

What are the key properties of 5-amino-3,4-dimethyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopropylmethanone;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylphenyl)methanone;5-amino-N-[(4-fluoro-3-methylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

5-amino-3,4-dimethyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopropylmethanone;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylphenyl)methanone;5-amino-N-[(4-fluoro-3-methylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2391.02 g/mol, XLogP of 12.58, 16 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3,4-dimethyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-cyclopropylmethanone;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2,2-dimethylpropan-1-one;[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylphenyl)methanone;5-amino-N-[(4-fluoro-3-methylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 158263250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).