5-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(pyridine-4-carbonylamino)ethyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

C129H139F3N32O17S10 — CID 161449674

About 5-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(pyridine-4-carbonylamino)ethyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

5-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(pyridine-4-carbonylamino)ethyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (PubChem CID 161449674) has the molecular formula C129H139F3N32O17S10 and a molecular weight of 2787.40 g/mol. Its IUPAC name is 5-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(pyridine-4-carbonylamino)ethyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: 5-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(pyridine-4-carbonylamino)ethyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
• PubChem CID: 161449674
• Molecular Formula: C129H139F3N32O17S10
• Molecular Weight: 2787.40 g/mol
• Exact Mass: 2784.82
• IUPAC Name: 5-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(pyridine-4-carbonylamino)ethyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
• SMILES: Cc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)N3CCC(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CC3c3ccc(S(C)(=O)=O)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNC(=O)C3CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNC(=O)c3ccncc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(C)C(F)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N[C@H]3C[C@@H]3c3ccc(S(C)(=O)=O)cc3)c(N)c2c1C
• InChI: InChI=1S/C20H21F3N4O3S2.C20H21N5O3S.2C19H20N4O3S2.C19H20N4OS.C17H18N6O2S.C15H19N5O2S/c1-10-11(2)26-27-18-14(10)15(24)16(31-18)17(28)25-9-12-5-7-13(8-6-12)32(29,30)19(3,4)20(21,22)23;1-10-5-4-6-14(7-10)28-20(27)25-8-13(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)29-17;2*1-9-10(2)22-23-19-15(9)16(20)17(27-19)18(24)21-14-8-13(14)11-4-6-12(7-5-11)28(3,25)26;1-11-12(2)21-22-18-15(11)16(20)17(25-18)19(24)23-9-8-14(10-23)13-6-4-3-5-7-13;1-9-10(2)22-23-17-12(9)13(18)14(26-17)16(25)21-8-7-20-15(24)11-3-5-19-6-4-11;1-7-8(2)19-20-15-10(7)11(16)12(23-15)14(22)18-6-5-17-13(21)9-3-4-9/h5-8H,9,24H2,1-4H3,(H,25,28);4-7,13H,8-9,21H2,1-3H3,(H,22,26);2*4-7,13-14H,8,20H2,1-3H3,(H,21,24);3-7,14H,8-10,20H2,1-2H3;3-6H,7-8,18H2,1-2H3,(H,20,24)(H,21,25);9H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)/t;;13-,14+;;;;/m..1..../s1
• InChIKey: WAJCPNYJGBHTFS-LBXDBNCTSA-N
• XLogP: 18.02
• TPSA: 760.56 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 46
• Rotatable Bonds: 28
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2787.40
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(pyridine-4-carbonylamino)ethyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The IUPAC name of 5-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(pyridine-4-carbonylamino)ethyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (CID 161449674) is 5-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(pyridine-4-carbonylamino)ethyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

What is the SMILES notation for 5-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(pyridine-4-carbonylamino)ethyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The canonical SMILES for 5-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(pyridine-4-carbonylamino)ethyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is Cc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)N3CCC(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CC3c3ccc(S(C)(=O)=O)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNC(=O)C3CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNC(=O)c3ccncc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(C)C(F)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N[C@H]3C[C@@H]3c3ccc(S(C)(=O)=O)cc3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(pyridine-4-carbonylamino)ethyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The InChIKey is WAJCPNYJGBHTFS-LBXDBNCTSA-N. The full InChI is InChI=1S/C20H21F3N4O3S2.C20H21N5O3S.2C19H20N4O3S2.C19H20N4OS.C17H18N6O2S.C15H19N5O2S/c1-10-11(2)26-27-18-14(10)15(24)16(31-18)17(28)25-9-12-5-7-13(8-6-12)32(29,30)19(3,4)20(21,22)23;1-10-5-4-6-14(7-10)28-20(27)25-8-13(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)29-17;2*1-9-10(2)22-23-19-15(9)16(20)17(27-19)18(24)21-14-8-13(14)11-4-6-12(7-5-11)28(3,25)26;1-11-12(2)21-22-18-15(11)16(20)17(25-18)19(24)23-9-8-14(10-23)13-6-4-3-5-7-13;1-9-10(2)22-23-17-12(9)13(18)14(26-17)16(25)21-8-7-20-15(24)11-3-5-19-6-4-11;1-7-8(2)19-20-15-10(7)11(16)12(23-15)14(22)18-6-5-17-13(21)9-3-4-9/h5-8H,9,24H2,1-4H3,(H,25,28);4-7,13H,8-9,21H2,1-3H3,(H,22,26);2*4-7,13-14H,8,20H2,1-3H3,(H,21,24);3-7,14H,8-10,20H2,1-2H3;3-6H,7-8,18H2,1-2H3,(H,20,24)(H,21,25);9H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)/t;;13-,14+;;;;/m..1..../s1.

What are the key properties of 5-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(pyridine-4-carbonylamino)ethyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

5-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(pyridine-4-carbonylamino)ethyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate has a molecular weight of 2787.40 g/mol, XLogP of 18.02, 28 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1S,2R)-2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-(pyridine-4-carbonylamino)ethyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 161449674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).