5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-1-methylpyrrole-2-sulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide;5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate

C122H128ClFN32O11S7 — CID 159483296

About 5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-1-methylpyrrole-2-sulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide;5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate

5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-1-methylpyrrole-2-sulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide;5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate (PubChem CID 159483296) has the molecular formula C122H128ClFN32O11S7 and a molecular weight of 2497.50 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-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-1-methylpyrrole-2-sulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide;5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate.

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-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-1-methylpyrrole-2-sulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide;5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate
• PubChem CID: 159483296
• Molecular Formula: C122H128ClFN32O11S7
• Molecular Weight: 2497.50 g/mol
• Exact Mass: 2494.82
• 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-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-1-methylpyrrole-2-sulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide;5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate
• SMILES: Cc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cnc1Cl.Cc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cnc1F.Cc1nnc2sc(C(=O)N3CCC(NC(=O)N4CCCCC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCC(NS(=O)(=O)c4cccn4C)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(C(=O)Oc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4ccncc4)cc3)c(N)c2c1C
• InChI: InChI=1S/C22H20ClN5OS.C22H20FN5OS.C21H19N5OS.C20H21N5O3S.C19H26N6O2S.C18H22N6O3S2/c2*1-11-8-16(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;1-12-13(2)25-26-21-17(12)18(22)19(28-21)20(27)24-11-14-3-5-15(6-4-14)16-7-9-23-10-8-16;1-11-12(2)23-24-19-15(11)16(21)17(29-19)18(26)22-13-8-9-25(10-13)20(27)28-14-6-4-3-5-7-14;1-11-12(2)22-23-17-14(11)15(20)16(28-17)18(26)25-9-6-13(10-25)21-19(27)24-7-4-3-5-8-24;1-10-11(2)20-21-17-14(10)15(19)16(28-17)18(25)24-8-6-12(9-24)22-29(26,27)13-5-4-7-23(13)3/h2*4-8,10H,9,24H2,1-3H3,(H,26,29);3-10H,11,22H2,1-2H3,(H,24,27);3-7,13H,8-10,21H2,1-2H3,(H,22,26);13H,3-10,20H2,1-2H3,(H,21,27);4-5,7,12,22H,6,8-9,19H2,1-3H3
• InChIKey: LXGRGNJBTMXEOL-UHFFFAOYSA-N
• XLogP: 19.67
• TPSA: 619.47 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 39
• Rotatable Bonds: 21
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2497.50
LogP ≤ 5	19.67
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-1-methylpyrrole-2-sulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide;5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate?

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-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-1-methylpyrrole-2-sulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide;5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate (CID 159483296) is 5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-1-methylpyrrole-2-sulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide;5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate.

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-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-1-methylpyrrole-2-sulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide;5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate?

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-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-1-methylpyrrole-2-sulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide;5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate is Cc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cnc1Cl.Cc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cnc1F.Cc1nnc2sc(C(=O)N3CCC(NC(=O)N4CCCCC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCC(NS(=O)(=O)c4cccn4C)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(C(=O)Oc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4ccncc4)cc3)c(N)c2c1C.

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-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-1-methylpyrrole-2-sulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide;5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate?

The InChIKey is LXGRGNJBTMXEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5OS.C22H20FN5OS.C21H19N5OS.C20H21N5O3S.C19H26N6O2S.C18H22N6O3S2/c2*1-11-8-16(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;1-12-13(2)25-26-21-17(12)18(22)19(28-21)20(27)24-11-14-3-5-15(6-4-14)16-7-9-23-10-8-16;1-11-12(2)23-24-19-15(11)16(21)17(29-19)18(26)22-13-8-9-25(10-13)20(27)28-14-6-4-3-5-7-14;1-11-12(2)22-23-17-14(11)15(20)16(28-17)18(26)25-9-6-13(10-25)21-19(27)24-7-4-3-5-8-24;1-10-11(2)20-21-17-14(10)15(19)16(28-17)18(25)24-8-6-12(9-24)22-29(26,27)13-5-4-7-23(13)3/h2*4-8,10H,9,24H2,1-3H3,(H,26,29);3-10H,11,22H2,1-2H3,(H,24,27);3-7,13H,8-10,21H2,1-2H3,(H,22,26);13H,3-10,20H2,1-2H3,(H,21,27);4-5,7,12,22H,6,8-9,19H2,1-3H3.

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-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-1-methylpyrrole-2-sulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide;5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate?

5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-1-methylpyrrole-2-sulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide;5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 2497.50 g/mol, XLogP of 19.67, 21 rotatable bonds, 12 hydrogen bond donors, and 39 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-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-1-methylpyrrole-2-sulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide;5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 159483296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).