N-(1-acetylazetidin-3-yl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(2-fluoro-4-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C143H161F2N41O18S10 — CID 158476983

IUPACN-(1-acetylazetidin-3-yl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(2-fluoro-4-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCC(=O)N1CC(NC(=O)c2sc3nnc(C)c(C)c3c2N)C1.CCCCC(=O)N1CC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)CC2C1.COc1cccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1ccc(C(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c(F)c1.Cc1cccc(C(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)NC3(c4ccc(F)cc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)C4CC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4cn(C)cn4)C3)c(N)c2c1C
InChIInChI=1S/C20H20FN5O2S.C20H21N5O2S.C20H27N5O2S.C19H21N5O4S2.C18H17FN4OS.C16H19N7O3S2.C16H19N5O2S.C14H17N5O2S/c1-9-4-5-13(14(21)6-9)20(28)26-7-12(8-26)23-18(27)17-16(22)15-10(2)11(3)24-25-19(15)29-17;1-10-5-4-6-13(7-10)20(27)25-8-14(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)28-17;1-4-5-6-15(26)24-7-13-9-25(10-14(13)8-24)20(27)18-17(21)16-11(2)12(3)22-23-19(16)28-18;1-10-11(2)22-23-19-15(10)16(20)17(29-19)18(25)21-12-8-24(9-12)30(26,27)14-6-4-5-13(7-14)28-3;1-9-10(2)22-23-17-13(9)14(20)15(25-17)16(24)21-18(7-8-18)11-3-5-12(19)6-4-11;1-8-9(2)20-21-16-12(8)13(17)14(27-16)15(24)19-10-4-23(5-10)28(25,26)11-6-22(3)7-18-11;1-7-8(2)19-20-15-11(7)12(17)13(24-15)14(22)18-10-5-21(6-10)16(23)9-3-4-9;1-6-7(2)17-18-14-10(6)11(15)12(22-14)13(21)16-9-4-19(5-9)8(3)20/h4-6,12H,7-8,22H2,1-3H3,(H,23,27);4-7,14H,8-9,21H2,1-3H3,(H,22,26);13-14H,4-10,21H2,1-3H3;4-7,12H,8-9,20H2,1-3H3,(H,21,25);3-6H,7-8,20H2,1-2H3,(H,21,24);6-7,10H,4-5,17H2,1-3H3,(H,19,24);9-10H,3-6,17H2,1-2H3,(H,18,22);9H,4-5,15H2,1-3H3,(H,16,21)
InChIKeyHHBHCVUWPGCVHM-UHFFFAOYSA-N
MW3100.80 g/mol
LogP15.33
Rot. Bonds27

About N-(1-acetylazetidin-3-yl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(2-fluoro-4-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

N-(1-acetylazetidin-3-yl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(2-fluoro-4-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 158476983) has the molecular formula C143H161F2N41O18S10 and a molecular weight of 3100.80 g/mol. Its IUPAC name is N-(1-acetylazetidin-3-yl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(2-fluoro-4-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-(1-acetylazetidin-3-yl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(2-fluoro-4-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID158476983
Molecular FormulaC143H161F2N41O18S10
Molecular Weight3100.80 g/mol
Exact Mass3098.01
IUPAC NameN-(1-acetylazetidin-3-yl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(2-fluoro-4-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCC(=O)N1CC(NC(=O)c2sc3nnc(C)c(C)c3c2N)C1.CCCCC(=O)N1CC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)CC2C1.COc1cccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1ccc(C(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c(F)c1.Cc1cccc(C(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)NC3(c4ccc(F)cc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)C4CC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4cn(C)cn4)C3)c(N)c2c1C
InChIInChI=1S/C20H20FN5O2S.C20H21N5O2S.C20H27N5O2S.C19H21N5O4S2.C18H17FN4OS.C16H19N7O3S2.C16H19N5O2S.C14H17N5O2S/c1-9-4-5-13(14(21)6-9)20(28)26-7-12(8-26)23-18(27)17-16(22)15-10(2)11(3)24-25-19(15)29-17;1-10-5-4-6-13(7-10)20(27)25-8-14(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)28-17;1-4-5-6-15(26)24-7-13-9-25(10-14(13)8-24)20(27)18-17(21)16-11(2)12(3)22-23-19(16)28-18;1-10-11(2)22-23-19-15(10)16(20)17(29-19)18(25)21-12-8-24(9-12)30(26,27)14-6-4-5-13(7-14)28-3;1-9-10(2)22-23-17-13(9)14(20)15(25-17)16(24)21-18(7-8-18)11-3-5-12(19)6-4-11;1-8-9(2)20-21-16-12(8)13(17)14(27-16)15(24)19-10-4-23(5-10)28(25,26)11-6-22(3)7-18-11;1-7-8(2)19-20-15-11(7)12(17)13(24-15)14(22)18-10-5-21(6-10)16(23)9-3-4-9;1-6-7(2)17-18-14-10(6)11(15)12(22-14)13(21)16-9-4-19(5-9)8(3)20/h4-6,12H,7-8,22H2,1-3H3,(H,23,27);4-7,14H,8-9,21H2,1-3H3,(H,22,26);13-14H,4-10,21H2,1-3H3;4-7,12H,8-9,20H2,1-3H3,(H,21,25);3-6H,7-8,20H2,1-2H3,(H,21,24);6-7,10H,4-5,17H2,1-3H3,(H,19,24);9-10H,3-6,17H2,1-2H3,(H,18,22);9H,4-5,15H2,1-3H3,(H,16,21)
InChIKeyHHBHCVUWPGCVHM-UHFFFAOYSA-N
XLogP15.33
TPSA841.77 Ų
H-Bond Donors15
H-Bond Acceptors52
Rotatable Bonds27
Heavy Atoms214
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003100.80
LogP ≤ 515.33
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1052

Analyze N-(1-acetylazetidin-3-yl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(2-fluoro-4-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylazetidin-3-yl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(2-fluoro-4-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of N-(1-acetylazetidin-3-yl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(2-fluoro-4-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 158476983) is N-(1-acetylazetidin-3-yl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(2-fluoro-4-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for N-(1-acetylazetidin-3-yl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(2-fluoro-4-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for N-(1-acetylazetidin-3-yl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(2-fluoro-4-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is CC(=O)N1CC(NC(=O)c2sc3nnc(C)c(C)c3c2N)C1.CCCCC(=O)N1CC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)CC2C1.COc1cccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1ccc(C(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c(F)c1.Cc1cccc(C(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)NC3(c4ccc(F)cc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)C4CC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4cn(C)cn4)C3)c(N)c2c1C.
What is the InChIKey of N-(1-acetylazetidin-3-yl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(2-fluoro-4-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is HHBHCVUWPGCVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2S.C20H21N5O2S.C20H27N5O2S.C19H21N5O4S2.C18H17FN4OS.C16H19N7O3S2.C16H19N5O2S.C14H17N5O2S/c1-9-4-5-13(14(21)6-9)20(28)26-7-12(8-26)23-18(27)17-16(22)15-10(2)11(3)24-25-19(15)29-17;1-10-5-4-6-13(7-10)20(27)25-8-14(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)28-17;1-4-5-6-15(26)24-7-13-9-25(10-14(13)8-24)20(27)18-17(21)16-11(2)12(3)22-23-19(16)28-18;1-10-11(2)22-23-19-15(10)16(20)17(29-19)18(25)21-12-8-24(9-12)30(26,27)14-6-4-5-13(7-14)28-3;1-9-10(2)22-23-17-13(9)14(20)15(25-17)16(24)21-18(7-8-18)11-3-5-12(19)6-4-11;1-8-9(2)20-21-16-12(8)13(17)14(27-16)15(24)19-10-4-23(5-10)28(25,26)11-6-22(3)7-18-11;1-7-8(2)19-20-15-11(7)12(17)13(24-15)14(22)18-10-5-21(6-10)16(23)9-3-4-9;1-6-7(2)17-18-14-10(6)11(15)12(22-14)13(21)16-9-4-19(5-9)8(3)20/h4-6,12H,7-8,22H2,1-3H3,(H,23,27);4-7,14H,8-9,21H2,1-3H3,(H,22,26);13-14H,4-10,21H2,1-3H3;4-7,12H,8-9,20H2,1-3H3,(H,21,25);3-6H,7-8,20H2,1-2H3,(H,21,24);6-7,10H,4-5,17H2,1-3H3,(H,19,24);9-10H,3-6,17H2,1-2H3,(H,18,22);9H,4-5,15H2,1-3H3,(H,16,21).
What are the key properties of N-(1-acetylazetidin-3-yl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(2-fluoro-4-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
N-(1-acetylazetidin-3-yl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(2-fluoro-4-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 3100.80 g/mol, XLogP of 15.33, 27 rotatable bonds, 15 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylazetidin-3-yl)-5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(2-fluoro-4-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(3-methoxyphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 158476983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).