5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-cyclopropylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)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;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

C150H163FN36O17S9 — CID 161348357

IUPAC5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-cyclopropylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)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;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
SMILESCOCc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.Cc1ccc(N2CCC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccc(C(C)C)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNC(=O)OCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNC(=O)c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C4CC4)cc3)c(N)c2c1C
InChIInChI=1S/C22H25N5O3S.C20H23N5OS.C19H21N5O3S.C19H20N4O3S2.C18H19N5O2S.C18H20N4O2S.C17H17FN4O2S.C17H18N4OS/c1-11(2)14-5-7-16(8-6-14)30-22(29)27-9-15(10-27)24-20(28)19-18(23)17-12(3)13(4)25-26-21(17)31-19;1-11-4-6-15(7-5-11)25-9-8-14(10-25)22-19(26)18-17(21)16-12(2)13(3)23-24-20(16)27-18;1-11-12(2)23-24-18-14(11)15(20)16(28-18)17(25)21-8-9-22-19(26)27-10-13-6-4-3-5-7-13;1-10-11(2)22-23-19-15(10)16(20)17(27-19)18(24)21-9-12-3-5-13(6-4-12)28(25,26)14-7-8-14;1-10-11(2)22-23-18-13(10)14(19)15(26-18)17(25)21-9-8-20-16(24)12-6-4-3-5-7-12;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;1-8-9(2)21-22-17-13(8)14(19)15(25-17)16(23)20-7-10-4-5-12(24-3)11(18)6-10;1-10-11(2)20-21-17-13(10)14(18)15(23-17)16(22)19-9-8-12-6-4-3-5-7-12/h5-8,11,15H,9-10,23H2,1-4H3,(H,24,28);4-7,14H,8-10,21H2,1-3H3,(H,22,26);3-7H,8-10,20H2,1-2H3,(H,21,25)(H,22,26);3-6,14H,7-9,20H2,1-2H3,(H,21,24);3-7H,8-9,19H2,1-2H3,(H,20,24)(H,21,25);4-7H,8-9,19H2,1-3H3,(H,20,23);4-6H,7,19H2,1-3H3,(H,20,23);3-7H,8-9,18H2,1-2H3,(H,19,22)
InChIKeyVNPJASZGPKYFTR-UHFFFAOYSA-N
MW3049.79 g/mol
LogP22.98
Rot. Bonds36

About 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-cyclopropylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)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;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-cyclopropylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)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;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (PubChem CID 161348357) has the molecular formula C150H163FN36O17S9 and a molecular weight of 3049.79 g/mol. Its IUPAC name is 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-cyclopropylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)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;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Name5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-cyclopropylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)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;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
PubChem CID161348357
Molecular FormulaC150H163FN36O17S9
Molecular Weight3049.79 g/mol
Exact Mass3047.05
IUPAC Name5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-cyclopropylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)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;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
SMILESCOCc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.Cc1ccc(N2CCC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccc(C(C)C)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNC(=O)OCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNC(=O)c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C4CC4)cc3)c(N)c2c1C
InChIInChI=1S/C22H25N5O3S.C20H23N5OS.C19H21N5O3S.C19H20N4O3S2.C18H19N5O2S.C18H20N4O2S.C17H17FN4O2S.C17H18N4OS/c1-11(2)14-5-7-16(8-6-14)30-22(29)27-9-15(10-27)24-20(28)19-18(23)17-12(3)13(4)25-26-21(17)31-19;1-11-4-6-15(7-5-11)25-9-8-14(10-25)22-19(26)18-17(21)16-12(2)13(3)23-24-20(16)27-18;1-11-12(2)23-24-18-14(11)15(20)16(28-18)17(25)21-8-9-22-19(26)27-10-13-6-4-3-5-7-13;1-10-11(2)22-23-19-15(10)16(20)17(27-19)18(24)21-9-12-3-5-13(6-4-12)28(25,26)14-7-8-14;1-10-11(2)22-23-18-13(10)14(19)15(26-18)17(25)21-9-8-20-16(24)12-6-4-3-5-7-12;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;1-8-9(2)21-22-17-13(8)14(19)15(25-17)16(23)20-7-10-4-5-12(24-3)11(18)6-10;1-10-11(2)20-21-17-13(10)14(18)15(23-17)16(22)19-9-8-12-6-4-3-5-7-12/h5-8,11,15H,9-10,23H2,1-4H3,(H,24,28);4-7,14H,8-10,21H2,1-3H3,(H,22,26);3-7H,8-10,20H2,1-2H3,(H,21,25)(H,22,26);3-6,14H,7-9,20H2,1-2H3,(H,21,24);3-7H,8-9,19H2,1-2H3,(H,20,24)(H,21,25);4-7H,8-9,19H2,1-3H3,(H,20,23);4-6H,7,19H2,1-3H3,(H,20,23);3-7H,8-9,18H2,1-2H3,(H,19,22)
InChIKeyVNPJASZGPKYFTR-UHFFFAOYSA-N
XLogP22.98
TPSA800.01 Ų
H-Bond Donors18
H-Bond Acceptors50
Rotatable Bonds36
Heavy Atoms213
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003049.79
LogP ≤ 522.98
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-cyclopropylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)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;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-cyclopropylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)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;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The IUPAC name of 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-cyclopropylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)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;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (CID 161348357) is 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-cyclopropylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)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;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate;(4-propan-2-ylphenyl) 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-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-cyclopropylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)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;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The canonical SMILES for 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-cyclopropylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)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;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is COCc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.Cc1ccc(N2CCC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccc(C(C)C)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNC(=O)OCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNC(=O)c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C4CC4)cc3)c(N)c2c1C.
What is the InChIKey of 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-cyclopropylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)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;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The InChIKey is VNPJASZGPKYFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S.C20H23N5OS.C19H21N5O3S.C19H20N4O3S2.C18H19N5O2S.C18H20N4O2S.C17H17FN4O2S.C17H18N4OS/c1-11(2)14-5-7-16(8-6-14)30-22(29)27-9-15(10-27)24-20(28)19-18(23)17-12(3)13(4)25-26-21(17)31-19;1-11-4-6-15(7-5-11)25-9-8-14(10-25)22-19(26)18-17(21)16-12(2)13(3)23-24-20(16)27-18;1-11-12(2)23-24-18-14(11)15(20)16(28-18)17(25)21-8-9-22-19(26)27-10-13-6-4-3-5-7-13;1-10-11(2)22-23-19-15(10)16(20)17(27-19)18(24)21-9-12-3-5-13(6-4-12)28(25,26)14-7-8-14;1-10-11(2)22-23-18-13(10)14(19)15(26-18)17(25)21-9-8-20-16(24)12-6-4-3-5-7-12;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;1-8-9(2)21-22-17-13(8)14(19)15(25-17)16(23)20-7-10-4-5-12(24-3)11(18)6-10;1-10-11(2)20-21-17-13(10)14(18)15(23-17)16(22)19-9-8-12-6-4-3-5-7-12/h5-8,11,15H,9-10,23H2,1-4H3,(H,24,28);4-7,14H,8-10,21H2,1-3H3,(H,22,26);3-7H,8-10,20H2,1-2H3,(H,21,25)(H,22,26);3-6,14H,7-9,20H2,1-2H3,(H,21,24);3-7H,8-9,19H2,1-2H3,(H,20,24)(H,21,25);4-7H,8-9,19H2,1-3H3,(H,20,23);4-6H,7,19H2,1-3H3,(H,20,23);3-7H,8-9,18H2,1-2H3,(H,19,22).
What are the key properties of 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-cyclopropylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)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;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-cyclopropylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)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;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate has a molecular weight of 3049.79 g/mol, XLogP of 22.98, 36 rotatable bonds, 18 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-benzamidoethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-cyclopropylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)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;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 161348357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).