5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-quinolin-6-ylsulfonylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-ethylsulfonylphenyl)-3-fluoroazetidin-1-yl]methanone;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorobenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C154H159F4N39O21S14 — CID 158537578

IUPAC5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-quinolin-6-ylsulfonylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-ethylsulfonylphenyl)-3-fluoroazetidin-1-yl]methanone;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorobenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCCS(=O)(=O)c1ccc(C2(F)CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.CCc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1cccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1cccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1F.Cc1nnc2sc(C(=O)N3CC4(C3)CN(S(=O)(=O)c3ccccc3)C4)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccccc4F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccc5ncccc5c4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccccc4F)C3)c(N)c2c1C
InChIInChI=1S/C21H20N6O3S2.C20H21FN4O3S2.C20H21N5O3S2.C19H20FN5O3S2.C19H18FN5O2S.C19H21N5O3S2.C18H18FN5O3S2.C18H20N4OS/c1-11-12(2)25-26-21-17(11)18(22)19(31-21)20(28)24-14-9-27(10-14)32(29,30)15-5-6-16-13(8-15)4-3-7-23-16;1-4-30(27,28)14-7-5-13(6-8-14)20(21)9-25(10-20)19(26)17-16(22)15-11(2)12(3)23-24-18(15)29-17;1-12-13(2)22-23-18-15(12)16(21)17(29-18)19(26)24-8-20(9-24)10-25(11-20)30(27,28)14-6-4-3-5-7-14;1-9-5-4-6-13(15(9)20)30(27,28)25-7-12(8-25)22-18(26)17-16(21)14-10(2)11(3)23-24-19(14)29-17;1-9-10(2)23-24-18-14(9)15(21)16(28-18)17(26)22-11-7-25(8-11)19(27)12-5-3-4-6-13(12)20;1-10-5-4-6-14(7-10)29(26,27)24-8-13(9-24)21-18(25)17-16(20)15-11(2)12(3)22-23-19(15)28-17;1-9-10(2)22-23-18-14(9)15(20)16(28-18)17(25)21-11-7-24(8-11)29(26,27)13-6-4-3-5-12(13)19;1-4-12-5-7-13(8-6-12)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)24-16/h3-8,14H,9-10,22H2,1-2H3,(H,24,28);5-8H,4,9-10,22H2,1-3H3;3-7H,8-11,21H2,1-2H3;4-6,12H,7-8,21H2,1-3H3,(H,22,26);3-6,11H,7-8,21H2,1-2H3,(H,22,26);4-7,13H,8-9,20H2,1-3H3,(H,21,25);3-6,11H,7-8,20H2,1-2H3,(H,21,25);5-8H,4,9,19H2,1-3H3,(H,20,23)
InChIKeyHODAHIVSTIEOEE-UHFFFAOYSA-N
MW3417.15 g/mol
LogP18.92
Rot. Bonds30

About 5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-quinolin-6-ylsulfonylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-ethylsulfonylphenyl)-3-fluoroazetidin-1-yl]methanone;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorobenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-quinolin-6-ylsulfonylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-ethylsulfonylphenyl)-3-fluoroazetidin-1-yl]methanone;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorobenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 158537578) has the molecular formula C154H159F4N39O21S14 and a molecular weight of 3417.15 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-quinolin-6-ylsulfonylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-ethylsulfonylphenyl)-3-fluoroazetidin-1-yl]methanone;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorobenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-quinolin-6-ylsulfonylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-ethylsulfonylphenyl)-3-fluoroazetidin-1-yl]methanone;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorobenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID158537578
Molecular FormulaC154H159F4N39O21S14
Molecular Weight3417.15 g/mol
Exact Mass3413.86
IUPAC Name5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-quinolin-6-ylsulfonylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-ethylsulfonylphenyl)-3-fluoroazetidin-1-yl]methanone;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorobenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCCS(=O)(=O)c1ccc(C2(F)CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.CCc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1cccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1cccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1F.Cc1nnc2sc(C(=O)N3CC4(C3)CN(S(=O)(=O)c3ccccc3)C4)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccccc4F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccc5ncccc5c4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccccc4F)C3)c(N)c2c1C
InChIInChI=1S/C21H20N6O3S2.C20H21FN4O3S2.C20H21N5O3S2.C19H20FN5O3S2.C19H18FN5O2S.C19H21N5O3S2.C18H18FN5O3S2.C18H20N4OS/c1-11-12(2)25-26-21-17(11)18(22)19(31-21)20(28)24-14-9-27(10-14)32(29,30)15-5-6-16-13(8-15)4-3-7-23-16;1-4-30(27,28)14-7-5-13(6-8-14)20(21)9-25(10-20)19(26)17-16(22)15-11(2)12(3)23-24-18(15)29-17;1-12-13(2)22-23-18-15(12)16(21)17(29-18)19(26)24-8-20(9-24)10-25(11-20)30(27,28)14-6-4-3-5-7-14;1-9-5-4-6-13(15(9)20)30(27,28)25-7-12(8-25)22-18(26)17-16(21)14-10(2)11(3)23-24-19(14)29-17;1-9-10(2)23-24-18-14(9)15(21)16(28-18)17(26)22-11-7-25(8-11)19(27)12-5-3-4-6-13(12)20;1-10-5-4-6-14(7-10)29(26,27)24-8-13(9-24)21-18(25)17-16(20)15-11(2)12(3)22-23-19(15)28-17;1-9-10(2)22-23-18-14(9)15(20)16(28-18)17(25)21-11-7-24(8-11)29(26,27)13-6-4-3-5-12(13)19;1-4-12-5-7-13(8-6-12)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)24-16/h3-8,14H,9-10,22H2,1-2H3,(H,24,28);5-8H,4,9-10,22H2,1-3H3;3-7H,8-11,21H2,1-2H3;4-6,12H,7-8,21H2,1-3H3,(H,22,26);3-6,11H,7-8,21H2,1-2H3,(H,22,26);4-7,13H,8-9,20H2,1-3H3,(H,21,25);3-6,11H,7-8,20H2,1-2H3,(H,21,25);5-8H,4,9,19H2,1-3H3,(H,20,23)
InChIKeyHODAHIVSTIEOEE-UHFFFAOYSA-N
XLogP18.92
TPSA883.86 Ų
H-Bond Donors14
H-Bond Acceptors54
Rotatable Bonds30
Heavy Atoms232
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003417.15
LogP ≤ 518.92
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1054

Analyze 5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-quinolin-6-ylsulfonylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-ethylsulfonylphenyl)-3-fluoroazetidin-1-yl]methanone;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorobenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)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 5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-quinolin-6-ylsulfonylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-ethylsulfonylphenyl)-3-fluoroazetidin-1-yl]methanone;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorobenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-quinolin-6-ylsulfonylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-ethylsulfonylphenyl)-3-fluoroazetidin-1-yl]methanone;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorobenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 158537578) is 5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-quinolin-6-ylsulfonylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-ethylsulfonylphenyl)-3-fluoroazetidin-1-yl]methanone;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorobenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-quinolin-6-ylsulfonylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-ethylsulfonylphenyl)-3-fluoroazetidin-1-yl]methanone;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorobenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-quinolin-6-ylsulfonylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-ethylsulfonylphenyl)-3-fluoroazetidin-1-yl]methanone;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorobenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is CCS(=O)(=O)c1ccc(C2(F)CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.CCc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1cccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1cccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1F.Cc1nnc2sc(C(=O)N3CC4(C3)CN(S(=O)(=O)c3ccccc3)C4)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccccc4F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccc5ncccc5c4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccccc4F)C3)c(N)c2c1C.
What is the InChIKey of 5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-quinolin-6-ylsulfonylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-ethylsulfonylphenyl)-3-fluoroazetidin-1-yl]methanone;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorobenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is HODAHIVSTIEOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S2.C20H21FN4O3S2.C20H21N5O3S2.C19H20FN5O3S2.C19H18FN5O2S.C19H21N5O3S2.C18H18FN5O3S2.C18H20N4OS/c1-11-12(2)25-26-21-17(11)18(22)19(31-21)20(28)24-14-9-27(10-14)32(29,30)15-5-6-16-13(8-15)4-3-7-23-16;1-4-30(27,28)14-7-5-13(6-8-14)20(21)9-25(10-20)19(26)17-16(22)15-11(2)12(3)23-24-18(15)29-17;1-12-13(2)22-23-18-15(12)16(21)17(29-18)19(26)24-8-20(9-24)10-25(11-20)30(27,28)14-6-4-3-5-7-14;1-9-5-4-6-13(15(9)20)30(27,28)25-7-12(8-25)22-18(26)17-16(21)14-10(2)11(3)23-24-19(14)29-17;1-9-10(2)23-24-18-14(9)15(21)16(28-18)17(26)22-11-7-25(8-11)19(27)12-5-3-4-6-13(12)20;1-10-5-4-6-14(7-10)29(26,27)24-8-13(9-24)21-18(25)17-16(20)15-11(2)12(3)22-23-19(15)28-17;1-9-10(2)22-23-18-14(9)15(20)16(28-18)17(25)21-11-7-24(8-11)29(26,27)13-6-4-3-5-12(13)19;1-4-12-5-7-13(8-6-12)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)24-16/h3-8,14H,9-10,22H2,1-2H3,(H,24,28);5-8H,4,9-10,22H2,1-3H3;3-7H,8-11,21H2,1-2H3;4-6,12H,7-8,21H2,1-3H3,(H,22,26);3-6,11H,7-8,21H2,1-2H3,(H,22,26);4-7,13H,8-9,20H2,1-3H3,(H,21,25);3-6,11H,7-8,20H2,1-2H3,(H,21,25);5-8H,4,9,19H2,1-3H3,(H,20,23).
What are the key properties of 5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-quinolin-6-ylsulfonylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-ethylsulfonylphenyl)-3-fluoroazetidin-1-yl]methanone;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorobenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-quinolin-6-ylsulfonylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-ethylsulfonylphenyl)-3-fluoroazetidin-1-yl]methanone;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorobenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 3417.15 g/mol, XLogP of 18.92, 30 rotatable bonds, 14 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)sulfonylazetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-quinolin-6-ylsulfonylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-ethylsulfonylphenyl)-3-fluoroazetidin-1-yl]methanone;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorobenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 158537578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).