5-amino-N-(1-cyclopenta-1,4-dien-1-ylsulfonylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;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-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]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-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-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;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate

C160H170F5N45O26S15 — CID 159941957

IUPAC5-amino-N-(1-cyclopenta-1,4-dien-1-ylsulfonylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;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-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]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-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-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;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate
SMILESCc1ccc(C(=O)N(C)CCNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1ccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)s1.Cc1nc(C(F)(F)F)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)C4=CCC=C4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccco4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNC(=O)Oc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccco3)c(N)c2c1C
InChIInChI=1S/C21H21F2N5O3S.C20H21N5O3S.C20H23N5O2S.C18H19N5O3S.C17H17F3N6O3S3.C17H19N5O3S3.C17H19N5O3S2.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;1-10-4-6-14(7-5-10)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;1-10-11(2)22-23-17-13(10)14(19)15(27-17)16(24)20-8-9-21-18(25)26-12-6-4-3-5-7-12;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;1-8-4-5-12(26-8)28(24,25)22-6-11(7-22)19-16(23)15-14(18)13-9(2)10(3)20-21-17(13)27-15;1-9-10(2)20-21-17-13(9)14(18)15(26-17)16(23)19-11-7-22(8-11)27(24,25)12-5-3-4-6-12;1-8-9(2)19-20-16-12(8)13(17)14(26-16)15(22)18-10-6-21(7-10)27(23,24)11-4-3-5-25-11;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);3-7H,8-9,19H2,1-2H3,(H,20,24)(H,21,25);9H,4-5,21H2,1-3H3,(H,23,27);4-5,11H,6-7,18H2,1-3H3,(H,19,23);3,5-6,11H,4,7-8,18H2,1-2H3,(H,19,23);3-5,10H,6-7,17H2,1-2H3,(H,18,22);3-5H,6,15H2,1-2H3,(H,16,19)
InChIKeyOAZLSJMURCVOOZ-UHFFFAOYSA-N
MW3715.40 g/mol
LogP21.25
Rot. Bonds36

About 5-amino-N-(1-cyclopenta-1,4-dien-1-ylsulfonylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;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-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]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-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-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;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate

5-amino-N-(1-cyclopenta-1,4-dien-1-ylsulfonylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;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-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]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-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-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;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate (PubChem CID 159941957) has the molecular formula C160H170F5N45O26S15 and a molecular weight of 3715.40 g/mol. Its IUPAC name is 5-amino-N-(1-cyclopenta-1,4-dien-1-ylsulfonylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;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-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]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-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-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;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Name5-amino-N-(1-cyclopenta-1,4-dien-1-ylsulfonylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;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-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]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-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-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;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate
PubChem CID159941957
Molecular FormulaC160H170F5N45O26S15
Molecular Weight3715.40 g/mol
Exact Mass3711.91
IUPAC Name5-amino-N-(1-cyclopenta-1,4-dien-1-ylsulfonylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;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-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]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-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-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;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate
SMILESCc1ccc(C(=O)N(C)CCNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1ccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)s1.Cc1nc(C(F)(F)F)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)C4=CCC=C4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccco4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNC(=O)Oc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccco3)c(N)c2c1C
InChIInChI=1S/C21H21F2N5O3S.C20H21N5O3S.C20H23N5O2S.C18H19N5O3S.C17H17F3N6O3S3.C17H19N5O3S3.C17H19N5O3S2.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;1-10-4-6-14(7-5-10)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;1-10-11(2)22-23-17-13(10)14(19)15(27-17)16(24)20-8-9-21-18(25)26-12-6-4-3-5-7-12;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;1-8-4-5-12(26-8)28(24,25)22-6-11(7-22)19-16(23)15-14(18)13-9(2)10(3)20-21-17(13)27-15;1-9-10(2)20-21-17-13(9)14(18)15(26-17)16(23)19-11-7-22(8-11)27(24,25)12-5-3-4-6-12;1-8-9(2)19-20-16-12(8)13(17)14(26-16)15(22)18-10-6-21(7-10)27(23,24)11-4-3-5-25-11;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);3-7H,8-9,19H2,1-2H3,(H,20,24)(H,21,25);9H,4-5,21H2,1-3H3,(H,23,27);4-5,11H,6-7,18H2,1-3H3,(H,19,23);3,5-6,11H,4,7-8,18H2,1-2H3,(H,19,23);3-5,10H,6-7,17H2,1-2H3,(H,18,22);3-5H,6,15H2,1-2H3,(H,16,19)
InChIKeyOAZLSJMURCVOOZ-UHFFFAOYSA-N
XLogP21.25
TPSA1034.51 Ų
H-Bond Donors19
H-Bond Acceptors65
Rotatable Bonds36
Heavy Atoms251
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003715.40
LogP ≤ 521.25
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1065

Computed Properties (RDKit)

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

Analyze 5-amino-N-(1-cyclopenta-1,4-dien-1-ylsulfonylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;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-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]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-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-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;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-cyclopenta-1,4-dien-1-ylsulfonylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;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-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]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-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-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;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate?
The IUPAC name of 5-amino-N-(1-cyclopenta-1,4-dien-1-ylsulfonylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;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-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]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-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-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;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate (CID 159941957) is 5-amino-N-(1-cyclopenta-1,4-dien-1-ylsulfonylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;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-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]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-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-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;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for 5-amino-N-(1-cyclopenta-1,4-dien-1-ylsulfonylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;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-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]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-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-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;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for 5-amino-N-(1-cyclopenta-1,4-dien-1-ylsulfonylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;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-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]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-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-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;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate is Cc1ccc(C(=O)N(C)CCNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1ccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)s1.Cc1nc(C(F)(F)F)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)C4=CCC=C4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccco4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNC(=O)Oc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccco3)c(N)c2c1C.
What is the InChIKey of 5-amino-N-(1-cyclopenta-1,4-dien-1-ylsulfonylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;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-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]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-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-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;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate?
The InChIKey is OAZLSJMURCVOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O3S.C20H21N5O3S.C20H23N5O2S.C18H19N5O3S.C17H17F3N6O3S3.C17H19N5O3S3.C17H19N5O3S2.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;1-10-4-6-14(7-5-10)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;1-10-11(2)22-23-17-13(10)14(19)15(27-17)16(24)20-8-9-21-18(25)26-12-6-4-3-5-7-12;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;1-8-4-5-12(26-8)28(24,25)22-6-11(7-22)19-16(23)15-14(18)13-9(2)10(3)20-21-17(13)27-15;1-9-10(2)20-21-17-13(9)14(18)15(26-17)16(23)19-11-7-22(8-11)27(24,25)12-5-3-4-6-12;1-8-9(2)19-20-16-12(8)13(17)14(26-16)15(22)18-10-6-21(7-10)27(23,24)11-4-3-5-25-11;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);3-7H,8-9,19H2,1-2H3,(H,20,24)(H,21,25);9H,4-5,21H2,1-3H3,(H,23,27);4-5,11H,6-7,18H2,1-3H3,(H,19,23);3,5-6,11H,4,7-8,18H2,1-2H3,(H,19,23);3-5,10H,6-7,17H2,1-2H3,(H,18,22);3-5H,6,15H2,1-2H3,(H,16,19).
What are the key properties of 5-amino-N-(1-cyclopenta-1,4-dien-1-ylsulfonylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;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-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]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-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-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;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate?
5-amino-N-(1-cyclopenta-1,4-dien-1-ylsulfonylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;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-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]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-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-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;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate has a molecular weight of 3715.40 g/mol, XLogP of 21.25, 36 rotatable bonds, 19 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-cyclopenta-1,4-dien-1-ylsulfonylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;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-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]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-(furan-2-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-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;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 159941957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).