5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-phenylpropane-1-sulfonamide;5-amino-N-[(4-imidazol-1-ylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C₉₉H₁₀₈ClFN₂₄O₁₂S₇ — CID 157423984

About 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-phenylpropane-1-sulfonamide;5-amino-N-[(4-imidazol-1-ylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-phenylpropane-1-sulfonamide;5-amino-N-[(4-imidazol-1-ylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 157423984) has the molecular formula C₉₉H₁₀₈ClFN₂₄O₁₂S₇ and a molecular weight of 2105.03 g/mol. Its IUPAC name is 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-phenylpropane-1-sulfonamide;5-amino-N-[(4-imidazol-1-ylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-phenylpropane-1-sulfonamide;5-amino-N-[(4-imidazol-1-ylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 157423984
• Molecular Formula: C₉₉H₁₀₈ClFN₂₄O₁₂S₇
• Molecular Weight: 2105.03 g/mol
• Exact Mass: 2102.63
• IUPAC Name: 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-phenylpropane-1-sulfonamide;5-amino-N-[(4-imidazol-1-ylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: COCCOc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)N3CCC(NS(=O)(=O)CCCc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(C(=O)Cc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-n4ccnc4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)F)c(Cl)c3)c(N)c2c1C
• InChI: InChI=1S/C22H27N5O3S2.C21H23N5O2S.C19H18N6OS.C19H22N4O3S.C18H18ClFN4O3S2/c1-14-15(2)24-25-21-18(14)19(23)20(31-21)22(28)27-11-10-17(13-27)26-32(29,30)12-6-9-16-7-4-3-5-8-16;1-12-13(2)24-25-21-17(12)18(22)19(29-21)20(28)23-15-8-9-26(11-15)16(27)10-14-6-4-3-5-7-14;1-11-12(2)23-24-19-15(11)16(20)17(27-19)18(26)22-9-13-3-5-14(6-4-13)25-8-7-21-10-25;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;1-8-9(2)23-24-18-14(8)15(21)16(28-18)17(25)22-7-11-4-5-13(12(19)6-11)29(26,27)10(3)20/h3-5,7-8,17,26H,6,9-13,23H2,1-2H3;3-7,15H,8-11,22H2,1-2H3,(H,23,28);3-8,10H,9,20H2,1-2H3,(H,22,26);4-7H,8-10,20H2,1-3H3,(H,21,24);4-6,10H,7,21H2,1-3H3,(H,22,25)
• InChIKey: BPSZCIALFHEJOB-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 532.61 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2105.03
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

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-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-phenylpropane-1-sulfonamide;5-amino-N-[(4-imidazol-1-ylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-phenylpropane-1-sulfonamide;5-amino-N-[(4-imidazol-1-ylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 157423984) is 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-phenylpropane-1-sulfonamide;5-amino-N-[(4-imidazol-1-ylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-phenylpropane-1-sulfonamide;5-amino-N-[(4-imidazol-1-ylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-phenylpropane-1-sulfonamide;5-amino-N-[(4-imidazol-1-ylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is COCCOc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)N3CCC(NS(=O)(=O)CCCc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(C(=O)Cc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-n4ccnc4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)F)c(Cl)c3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-phenylpropane-1-sulfonamide;5-amino-N-[(4-imidazol-1-ylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is BPSZCIALFHEJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S2.C21H23N5O2S.C19H18N6OS.C19H22N4O3S.C18H18ClFN4O3S2/c1-14-15(2)24-25-21-18(14)19(23)20(31-21)22(28)27-11-10-17(13-27)26-32(29,30)12-6-9-16-7-4-3-5-8-16;1-12-13(2)24-25-21-17(12)18(22)19(29-21)20(28)23-15-8-9-26(11-15)16(27)10-14-6-4-3-5-7-14;1-11-12(2)23-24-19-15(11)16(20)17(27-19)18(26)22-9-13-3-5-14(6-4-13)25-8-7-21-10-25;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;1-8-9(2)23-24-18-14(8)15(21)16(28-18)17(25)22-7-11-4-5-13(12(19)6-11)29(26,27)10(3)20/h3-5,7-8,17,26H,6,9-13,23H2,1-2H3;3-7,15H,8-11,22H2,1-2H3,(H,23,28);3-8,10H,9,20H2,1-2H3,(H,22,26);4-7H,8-10,20H2,1-3H3,(H,21,24);4-6,10H,7,21H2,1-3H3,(H,22,25).

What are the key properties of 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-phenylpropane-1-sulfonamide;5-amino-N-[(4-imidazol-1-ylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-phenylpropane-1-sulfonamide;5-amino-N-[(4-imidazol-1-ylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2105.03 g/mol, XLogP of 14.54, 27 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-phenylpropane-1-sulfonamide;5-amino-N-[(4-imidazol-1-ylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 157423984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157423984 — identifiers, structure, computed properties (public domain)

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