5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C107H114N28O11S7 — CID 159077447

About 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 159077447) has the molecular formula C107H114N28O11S7 and a molecular weight of 2192.74 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 159077447
• Molecular Formula: C107H114N28O11S7
• Molecular Weight: 2192.74 g/mol
• Exact Mass: 2190.73
• IUPAC Name: 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: COc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)ccn1.COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cn1.COc1ccc([C@@H]2C[C@H]2NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COc1ccc([C@H]2C[C@@H]2NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)N3CC4CN(c5ccccn5)CC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(C)=O)cc3)c(N)c2c1C
• InChI: InChI=1S/C20H22N6OS.2C19H20N4O2S.C17H18N4O2S2.2C16H17N5O2S/c1-11-12(2)23-24-19-16(11)17(21)18(28-19)20(27)26-9-13-7-25(8-14(13)10-26)15-5-3-4-6-22-15;2*1-9-10(2)22-23-19-15(9)16(20)17(26-19)18(24)21-14-8-13(14)11-4-6-12(25-3)7-5-11;1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(7-5-11)25(3)23;1-8-9(2)20-21-16-12(8)13(17)14(24-16)15(22)19-7-10-4-5-18-11(6-10)23-3;1-8-9(2)20-21-16-12(8)13(17)14(24-16)15(22)19-7-10-4-5-11(23-3)18-6-10/h3-6,13-14H,7-10,21H2,1-2H3;2*4-7,13-14H,8,20H2,1-3H3,(H,21,24);4-7H,8,18H2,1-3H3,(H,19,22);2*4-6H,7,17H2,1-3H3,(H,19,22)/t;2*13-,14+;;;/m.10.../s1
• InChIKey: KAKUCCPIWHSINE-QZYCMFKKSA-N
• XLogP: 15.87
• TPSA: 572.51 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 22
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2192.74
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 159077447) is 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is COc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)ccn1.COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cn1.COc1ccc([C@@H]2C[C@H]2NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COc1ccc([C@H]2C[C@@H]2NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)N3CC4CN(c5ccccn5)CC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(C)=O)cc3)c(N)c2c1C.

What is the InChIKey of 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is KAKUCCPIWHSINE-QZYCMFKKSA-N. The full InChI is InChI=1S/C20H22N6OS.2C19H20N4O2S.C17H18N4O2S2.2C16H17N5O2S/c1-11-12(2)23-24-19-16(11)17(21)18(28-19)20(27)26-9-13-7-25(8-14(13)10-26)15-5-3-4-6-22-15;2*1-9-10(2)22-23-19-15(9)16(20)17(26-19)18(24)21-14-8-13(14)11-4-6-12(25-3)7-5-11;1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(7-5-11)25(3)23;1-8-9(2)20-21-16-12(8)13(17)14(24-16)15(22)19-7-10-4-5-18-11(6-10)23-3;1-8-9(2)20-21-16-12(8)13(17)14(24-16)15(22)19-7-10-4-5-11(23-3)18-6-10/h3-6,13-14H,7-10,21H2,1-2H3;2*4-7,13-14H,8,20H2,1-3H3,(H,21,24);4-7H,8,18H2,1-3H3,(H,19,22);2*4-6H,7,17H2,1-3H3,(H,19,22)/t;2*13-,14+;;;/m.10.../s1.

What are the key properties of 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2192.74 g/mol, XLogP of 15.87, 22 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 159077447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).