5-amino-N-[1-(4-butoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methyl-2-methylidene-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-ethylbenzenesulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-fluorobenzenesulfonamide;5-amino-N-[(2-ethynyl-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate

C133H149F3N34O17S10 — CID 158926237

About 5-amino-N-[1-(4-butoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methyl-2-methylidene-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-ethylbenzenesulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-fluorobenzenesulfonamide;5-amino-N-[(2-ethynyl-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate

5-amino-N-[1-(4-butoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methyl-2-methylidene-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-ethylbenzenesulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-fluorobenzenesulfonamide;5-amino-N-[(2-ethynyl-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate (PubChem CID 158926237) has the molecular formula C133H149F3N34O17S10 and a molecular weight of 2873.54 g/mol. Its IUPAC name is 5-amino-N-[1-(4-butoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methyl-2-methylidene-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-ethylbenzenesulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-fluorobenzenesulfonamide;5-amino-N-[(2-ethynyl-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

• Compound Name: 5-amino-N-[1-(4-butoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methyl-2-methylidene-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-ethylbenzenesulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-fluorobenzenesulfonamide;5-amino-N-[(2-ethynyl-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate
• PubChem CID: 158926237
• Molecular Formula: C133H149F3N34O17S10
• Molecular Weight: 2873.54 g/mol
• Exact Mass: 2870.90
• IUPAC Name: 5-amino-N-[1-(4-butoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methyl-2-methylidene-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-ethylbenzenesulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-fluorobenzenesulfonamide;5-amino-N-[(2-ethynyl-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate
• SMILES: C#Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)ccn1.C=C1C=C(CNC(=O)c2sc3nnc(C)c(C)c3c2N)C=CN1C.CCCCOc1ccc(C(=O)N2CCC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.CCCOC(=O)NC1CCN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.CCc1cccc(S(=O)(=O)NC2CCN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)N3CCC(NS(=O)(=O)c4cccc(F)c4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)F)c(F)c3)c(N)c2c1C
• InChI: InChI=1S/C24H29N5O3S.C21H25N5O3S2.C19H20FN5O3S2.C18H18F2N4O3S2.C17H23N5O3S.C17H19N5OS.C17H15N5OS/c1-4-5-12-32-18-8-6-16(7-9-18)24(31)29-11-10-17(13-29)26-22(30)21-20(25)19-14(2)15(3)27-28-23(19)33-21;1-4-14-6-5-7-16(10-14)31(28,29)25-15-8-9-26(11-15)21(27)19-18(22)17-12(2)13(3)23-24-20(17)30-19;1-10-11(2)22-23-18-15(10)16(21)17(29-18)19(26)25-7-6-13(9-25)24-30(27,28)14-5-3-4-12(20)8-14;1-8-9(2)23-24-18-14(8)15(21)16(28-18)17(25)22-7-11-4-5-13(12(20)6-11)29(26,27)10(3)19;1-4-7-25-17(24)19-11-5-6-22(8-11)16(23)14-13(18)12-9(2)10(3)20-21-15(12)26-14;1-9-7-12(5-6-22(9)4)8-19-16(23)15-14(18)13-10(2)11(3)20-21-17(13)24-15;1-4-12-7-11(5-6-19-12)8-20-16(23)15-14(18)13-9(2)10(3)21-22-17(13)24-15/h6-9,17H,4-5,10-13,25H2,1-3H3,(H,26,30);5-7,10,15,25H,4,8-9,11,22H2,1-3H3;3-5,8,13,24H,6-7,9,21H2,1-2H3;4-6,10H,7,21H2,1-3H3,(H,22,25);11H,4-8,18H2,1-3H3,(H,19,24);5-7H,1,8,18H2,2-4H3,(H,19,23);1,5-7H,8,18H2,2-3H3,(H,20,23)
• InChIKey: JIMBDSIIHYQZQI-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 750.41 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 47
• Rotatable Bonds: 31
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2873.54
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(4-butoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methyl-2-methylidene-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-ethylbenzenesulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-fluorobenzenesulfonamide;5-amino-N-[(2-ethynyl-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate?

The IUPAC name of 5-amino-N-[1-(4-butoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methyl-2-methylidene-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-ethylbenzenesulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-fluorobenzenesulfonamide;5-amino-N-[(2-ethynyl-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate (CID 158926237) is 5-amino-N-[1-(4-butoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methyl-2-methylidene-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-ethylbenzenesulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-fluorobenzenesulfonamide;5-amino-N-[(2-ethynyl-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate.

What is the SMILES notation for 5-amino-N-[1-(4-butoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methyl-2-methylidene-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-ethylbenzenesulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-fluorobenzenesulfonamide;5-amino-N-[(2-ethynyl-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate?

The canonical SMILES for 5-amino-N-[1-(4-butoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methyl-2-methylidene-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-ethylbenzenesulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-fluorobenzenesulfonamide;5-amino-N-[(2-ethynyl-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate is C#Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)ccn1.C=C1C=C(CNC(=O)c2sc3nnc(C)c(C)c3c2N)C=CN1C.CCCCOc1ccc(C(=O)N2CCC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.CCCOC(=O)NC1CCN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.CCc1cccc(S(=O)(=O)NC2CCN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)N3CCC(NS(=O)(=O)c4cccc(F)c4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)F)c(F)c3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[1-(4-butoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methyl-2-methylidene-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-ethylbenzenesulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-fluorobenzenesulfonamide;5-amino-N-[(2-ethynyl-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate?

The InChIKey is JIMBDSIIHYQZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S.C21H25N5O3S2.C19H20FN5O3S2.C18H18F2N4O3S2.C17H23N5O3S.C17H19N5OS.C17H15N5OS/c1-4-5-12-32-18-8-6-16(7-9-18)24(31)29-11-10-17(13-29)26-22(30)21-20(25)19-14(2)15(3)27-28-23(19)33-21;1-4-14-6-5-7-16(10-14)31(28,29)25-15-8-9-26(11-15)21(27)19-18(22)17-12(2)13(3)23-24-20(17)30-19;1-10-11(2)22-23-18-15(10)16(21)17(29-18)19(26)25-7-6-13(9-25)24-30(27,28)14-5-3-4-12(20)8-14;1-8-9(2)23-24-18-14(8)15(21)16(28-18)17(25)22-7-11-4-5-13(12(20)6-11)29(26,27)10(3)19;1-4-7-25-17(24)19-11-5-6-22(8-11)16(23)14-13(18)12-9(2)10(3)20-21-15(12)26-14;1-9-7-12(5-6-22(9)4)8-19-16(23)15-14(18)13-10(2)11(3)20-21-17(13)24-15;1-4-12-7-11(5-6-19-12)8-20-16(23)15-14(18)13-9(2)10(3)21-22-17(13)24-15/h6-9,17H,4-5,10-13,25H2,1-3H3,(H,26,30);5-7,10,15,25H,4,8-9,11,22H2,1-3H3;3-5,8,13,24H,6-7,9,21H2,1-2H3;4-6,10H,7,21H2,1-3H3,(H,22,25);11H,4-8,18H2,1-3H3,(H,19,24);5-7H,1,8,18H2,2-4H3,(H,19,23);1,5-7H,8,18H2,2-3H3,(H,20,23).

What are the key properties of 5-amino-N-[1-(4-butoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methyl-2-methylidene-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-ethylbenzenesulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-fluorobenzenesulfonamide;5-amino-N-[(2-ethynyl-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate?

5-amino-N-[1-(4-butoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methyl-2-methylidene-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-ethylbenzenesulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-fluorobenzenesulfonamide;5-amino-N-[(2-ethynyl-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate has a molecular weight of 2873.54 g/mol, XLogP of 18.59, 31 rotatable bonds, 14 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[1-(4-butoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methyl-2-methylidene-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-ethylbenzenesulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-fluorobenzenesulfonamide;5-amino-N-[(2-ethynyl-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 158926237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).