5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1-methylsulfonylethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-3-ylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;[4-(1,1-difluoroethyl)phenyl] 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

C163H178F5N45O26S16 — CID 160739072

IUPAC5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1-methylsulfonylethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-3-ylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;[4-(1,1-difluoroethyl)phenyl] 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
SMILESCc1ccc(C(=O)N(C)CCNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(S(=O)(=O)N(C)CCNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nc(C(F)(F)F)c(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)s1.Cc1nc(C)c(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)s1.Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccc(C(C)(F)F)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccoc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(C(C)S(C)(=O)=O)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccco3)c(N)c2c1C
InChIInChI=1S/C21H21F2N5O3S.C20H21N5O3S.C20H23N5O2S.C19H23N5O3S2.C19H22N4O3S2.C17H17F3N6O3S3.C17H20N6O3S3.C16H17N5O4S2.C14H14N4O2S/c1-10-11(2)26-27-19-15(10)16(24)17(32-19)18(29)25-13-8-28(9-13)20(30)31-14-6-4-12(5-7-14)21(3,22)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;1-11-5-7-14(8-6-11)20(27)25(4)10-9-22-18(26)17-16(21)15-12(2)13(3)23-24-19(15)28-17;1-11-5-7-14(8-6-11)29(26,27)24(4)10-9-21-18(25)17-16(20)15-12(2)13(3)22-23-19(15)28-17;1-10-11(2)22-23-19-15(10)16(20)17(27-19)18(24)21-9-13-5-7-14(8-6-13)12(3)28(4,25)26;1-6-7(2)24-25-15-10(6)11(21)12(31-15)14(27)23-9-4-26(5-9)32(28,29)16-13(17(18,19)20)22-8(3)30-16;1-7-8(2)21-22-16-12(7)13(18)14(28-16)15(24)20-11-5-23(6-11)29(25,26)17-9(3)19-10(4)27-17;1-8-9(2)19-20-16-12(8)13(17)14(26-16)15(22)18-10-5-21(6-10)27(23,24)11-3-4-25-7-11;1-7-8(2)17-18-14-10(7)11(15)12(21-14)13(19)16-6-9-4-3-5-20-9/h4-7,13H,8-9,24H2,1-3H3,(H,25,29);4-7,13H,8-9,21H2,1-3H3,(H,22,26);5-8H,9-10,21H2,1-4H3,(H,22,26);5-8H,9-10,20H2,1-4H3,(H,21,25);5-8,12H,9,20H2,1-4H3,(H,21,24);9H,4-5,21H2,1-3H3,(H,23,27);11H,5-6,18H2,1-4H3,(H,20,24);3-4,7,10H,5-6,17H2,1-2H3,(H,18,22);3-5H,6,15H2,1-2H3,(H,16,19)
InChIKeyRVIHXGCYHTZNSG-UHFFFAOYSA-N
MW3791.57 g/mol
LogP22.25
Rot. Bonds38

About 5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1-methylsulfonylethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-3-ylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;[4-(1,1-difluoroethyl)phenyl] 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1-methylsulfonylethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-3-ylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;[4-(1,1-difluoroethyl)phenyl] 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (PubChem CID 160739072) has the molecular formula C163H178F5N45O26S16 and a molecular weight of 3791.57 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1-methylsulfonylethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-3-ylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;[4-(1,1-difluoroethyl)phenyl] 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Name5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1-methylsulfonylethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-3-ylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;[4-(1,1-difluoroethyl)phenyl] 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
PubChem CID160739072
Molecular FormulaC163H178F5N45O26S16
Molecular Weight3791.57 g/mol
Exact Mass3787.94
IUPAC Name5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1-methylsulfonylethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-3-ylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;[4-(1,1-difluoroethyl)phenyl] 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
SMILESCc1ccc(C(=O)N(C)CCNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(S(=O)(=O)N(C)CCNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nc(C(F)(F)F)c(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)s1.Cc1nc(C)c(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)s1.Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccc(C(C)(F)F)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccoc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(C(C)S(C)(=O)=O)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccco3)c(N)c2c1C
InChIInChI=1S/C21H21F2N5O3S.C20H21N5O3S.C20H23N5O2S.C19H23N5O3S2.C19H22N4O3S2.C17H17F3N6O3S3.C17H20N6O3S3.C16H17N5O4S2.C14H14N4O2S/c1-10-11(2)26-27-19-15(10)16(24)17(32-19)18(29)25-13-8-28(9-13)20(30)31-14-6-4-12(5-7-14)21(3,22)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;1-11-5-7-14(8-6-11)20(27)25(4)10-9-22-18(26)17-16(21)15-12(2)13(3)23-24-19(15)28-17;1-11-5-7-14(8-6-11)29(26,27)24(4)10-9-21-18(25)17-16(20)15-12(2)13(3)22-23-19(15)28-17;1-10-11(2)22-23-19-15(10)16(20)17(27-19)18(24)21-9-13-5-7-14(8-6-13)12(3)28(4,25)26;1-6-7(2)24-25-15-10(6)11(21)12(31-15)14(27)23-9-4-26(5-9)32(28,29)16-13(17(18,19)20)22-8(3)30-16;1-7-8(2)21-22-16-12(7)13(18)14(28-16)15(24)20-11-5-23(6-11)29(25,26)17-9(3)19-10(4)27-17;1-8-9(2)19-20-16-12(8)13(17)14(26-16)15(22)18-10-5-21(6-10)27(23,24)11-3-4-25-7-11;1-7-8(2)17-18-14-10(7)11(15)12(21-14)13(19)16-6-9-4-3-5-20-9/h4-7,13H,8-9,24H2,1-3H3,(H,25,29);4-7,13H,8-9,21H2,1-3H3,(H,22,26);5-8H,9-10,21H2,1-4H3,(H,22,26);5-8H,9-10,20H2,1-4H3,(H,21,25);5-8,12H,9,20H2,1-4H3,(H,21,24);9H,4-5,21H2,1-3H3,(H,23,27);11H,5-6,18H2,1-4H3,(H,20,24);3-4,7,10H,5-6,17H2,1-2H3,(H,18,22);3-5H,6,15H2,1-2H3,(H,16,19)
InChIKeyRVIHXGCYHTZNSG-UHFFFAOYSA-N
XLogP22.25
TPSA1043.21 Ų
H-Bond Donors18
H-Bond Acceptors66
Rotatable Bonds38
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003791.57
LogP ≤ 522.25
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1066

Analyze 5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1-methylsulfonylethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-3-ylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;[4-(1,1-difluoroethyl)phenyl] 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(3-methylphenyl) 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-3,4-dimethyl-N-[2-[methyl-(4-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1-methylsulfonylethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-3-ylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;[4-(1,1-difluoroethyl)phenyl] 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The IUPAC name of 5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1-methylsulfonylethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-3-ylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;[4-(1,1-difluoroethyl)phenyl] 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (CID 160739072) is 5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1-methylsulfonylethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-3-ylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;[4-(1,1-difluoroethyl)phenyl] 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(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-3,4-dimethyl-N-[2-[methyl-(4-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1-methylsulfonylethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-3-ylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;[4-(1,1-difluoroethyl)phenyl] 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The canonical SMILES for 5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1-methylsulfonylethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-3-ylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;[4-(1,1-difluoroethyl)phenyl] 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is Cc1ccc(C(=O)N(C)CCNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(S(=O)(=O)N(C)CCNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nc(C(F)(F)F)c(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)s1.Cc1nc(C)c(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)s1.Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccc(C(C)(F)F)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccoc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(C(C)S(C)(=O)=O)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccco3)c(N)c2c1C.
What is the InChIKey of 5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1-methylsulfonylethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-3-ylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;[4-(1,1-difluoroethyl)phenyl] 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The InChIKey is RVIHXGCYHTZNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O3S.C20H21N5O3S.C20H23N5O2S.C19H23N5O3S2.C19H22N4O3S2.C17H17F3N6O3S3.C17H20N6O3S3.C16H17N5O4S2.C14H14N4O2S/c1-10-11(2)26-27-19-15(10)16(24)17(32-19)18(29)25-13-8-28(9-13)20(30)31-14-6-4-12(5-7-14)21(3,22)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;1-11-5-7-14(8-6-11)20(27)25(4)10-9-22-18(26)17-16(21)15-12(2)13(3)23-24-19(15)28-17;1-11-5-7-14(8-6-11)29(26,27)24(4)10-9-21-18(25)17-16(20)15-12(2)13(3)22-23-19(15)28-17;1-10-11(2)22-23-19-15(10)16(20)17(27-19)18(24)21-9-13-5-7-14(8-6-13)12(3)28(4,25)26;1-6-7(2)24-25-15-10(6)11(21)12(31-15)14(27)23-9-4-26(5-9)32(28,29)16-13(17(18,19)20)22-8(3)30-16;1-7-8(2)21-22-16-12(7)13(18)14(28-16)15(24)20-11-5-23(6-11)29(25,26)17-9(3)19-10(4)27-17;1-8-9(2)19-20-16-12(8)13(17)14(26-16)15(22)18-10-5-21(6-10)27(23,24)11-3-4-25-7-11;1-7-8(2)17-18-14-10(7)11(15)12(21-14)13(19)16-6-9-4-3-5-20-9/h4-7,13H,8-9,24H2,1-3H3,(H,25,29);4-7,13H,8-9,21H2,1-3H3,(H,22,26);5-8H,9-10,21H2,1-4H3,(H,22,26);5-8H,9-10,20H2,1-4H3,(H,21,25);5-8,12H,9,20H2,1-4H3,(H,21,24);9H,4-5,21H2,1-3H3,(H,23,27);11H,5-6,18H2,1-4H3,(H,20,24);3-4,7,10H,5-6,17H2,1-2H3,(H,18,22);3-5H,6,15H2,1-2H3,(H,16,19).
What are the key properties of 5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1-methylsulfonylethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-3-ylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;[4-(1,1-difluoroethyl)phenyl] 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1-methylsulfonylethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-3-ylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;[4-(1,1-difluoroethyl)phenyl] 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate has a molecular weight of 3791.57 g/mol, XLogP of 22.25, 38 rotatable bonds, 18 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylbenzoyl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1-methylsulfonylethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-3-ylsulfonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;[4-(1,1-difluoroethyl)phenyl] 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 160739072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).