5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methoxymethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C97H104ClN23O9S5 — CID 158656376

About 5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methoxymethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methoxymethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 158656376) has the molecular formula C97H104ClN23O9S5 and a molecular weight of 1933.85 g/mol. Its IUPAC name is 5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methoxymethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methoxymethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 158656376
• Molecular Formula: C97H104ClN23O9S5
• Molecular Weight: 1933.85 g/mol
• Exact Mass: 1931.68
• IUPAC Name: 5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methoxymethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: COCCOc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COCc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cnc1Cl.Cc1cccc(N2CC3CN(C(=O)c4sc5nnc(C)c(C)c5c4N)CC3C2)n1.[2H]C([2H])(NC(=O)c1sc2nnc(C)c(C)c2c1N)c1ccc(OC)cc1
• InChI: InChI=1S/C22H20ClN5OS.C21H24N6OS.C19H22N4O3S.C18H20N4O2S.C17H18N4O2S/c1-11-8-16(10-25-20(11)23)15-6-4-14(5-7-15)9-26-21(29)19-18(24)17-12(2)13(3)27-28-22(17)30-19;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;1-11-12(2)22-23-19-15(11)16(20)17(27-19)18(24)21-10-13-4-6-14(7-5-13)26-9-8-25-3;1-10-11(2)21-22-18-14(10)15(19)16(25-18)17(23)20-8-12-4-6-13(7-5-12)9-24-3;1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11/h4-8,10H,9,24H2,1-3H3,(H,26,29);4-6,14-15H,7-10,22H2,1-3H3;4-7H,8-10,20H2,1-3H3,(H,21,24);4-7H,8-9,19H2,1-3H3,(H,20,23);4-7H,8,18H2,1-3H3,(H,19,22)/i;;;;8D2
• InChIKey: ICEOWHDCZVPBGN-HGNGYREUSA-N
• XLogP: 16.29
• TPSA: 461.65 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1933.85
LogP ≤ 5	16.29
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methoxymethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methoxymethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 158656376) is 5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methoxymethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methoxymethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methoxymethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is COCCOc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COCc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cnc1Cl.Cc1cccc(N2CC3CN(C(=O)c4sc5nnc(C)c(C)c5c4N)CC3C2)n1.[2H]C([2H])(NC(=O)c1sc2nnc(C)c(C)c2c1N)c1ccc(OC)cc1.

What is the InChIKey of 5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methoxymethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is ICEOWHDCZVPBGN-HGNGYREUSA-N. The full InChI is InChI=1S/C22H20ClN5OS.C21H24N6OS.C19H22N4O3S.C18H20N4O2S.C17H18N4O2S/c1-11-8-16(10-25-20(11)23)15-6-4-14(5-7-15)9-26-21(29)19-18(24)17-12(2)13(3)27-28-22(17)30-19;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;1-11-12(2)22-23-19-15(11)16(20)17(27-19)18(24)21-10-13-4-6-14(7-5-13)26-9-8-25-3;1-10-11(2)21-22-18-14(10)15(19)16(25-18)17(23)20-8-12-4-6-13(7-5-12)9-24-3;1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11/h4-8,10H,9,24H2,1-3H3,(H,26,29);4-6,14-15H,7-10,22H2,1-3H3;4-7H,8-10,20H2,1-3H3,(H,21,24);4-7H,8-9,19H2,1-3H3,(H,20,23);4-7H,8,18H2,1-3H3,(H,19,22)/i;;;;8D2.

What are the key properties of 5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methoxymethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methoxymethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 1933.85 g/mol, XLogP of 16.29, 22 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(methoxymethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 158656376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).