5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide

C129H129ClF2N28O14S8 — CID 159514641

IUPAC5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCc1ccc(Cl)c(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)c1.Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1cncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)c1.Cc1nnc2sc(C(=O)N3CCC(NC(=O)c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(S(=O)(=O)c4ccc(OC(C)(F)F)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4ccc5c(c4)OCO5)cc3)c(N)c2c1C
InChIInChI=1S/C23H21ClN4OS.C23H20N4O3S.C22H21N5OS.C21H23F2N5O4S2.C20H23N5O3S2.C20H21N5O2S/c1-12-4-9-18(24)17(10-12)16-7-5-15(6-8-16)11-26-22(29)21-20(25)19-13(2)14(3)27-28-23(19)30-21;1-12-13(2)26-27-23-19(12)20(24)21(31-23)22(28)25-10-14-3-5-15(6-4-14)16-7-8-17-18(9-16)30-11-29-17;1-12-8-17(11-24-9-12)16-6-4-15(5-7-16)10-25-21(28)20-19(23)18-13(2)14(3)26-27-22(18)29-20;1-11-12(2)26-27-20-16(11)17(24)18(33-20)19(29)25-13-8-9-28(10-13)34(30,31)15-6-4-14(5-7-15)32-21(3,22)23;1-11-4-6-15(7-5-11)30(27,28)25-9-8-14(10-25)22-19(26)18-17(21)16-12(2)13(3)23-24-20(16)29-18;1-11-12(2)23-24-19-15(11)16(21)17(28-19)20(27)25-9-8-14(10-25)22-18(26)13-6-4-3-5-7-13/h4-10H,11,25H2,1-3H3,(H,26,29);3-9H,10-11,24H2,1-2H3,(H,25,28);4-9,11H,10,23H2,1-3H3,(H,25,28);4-7,13H,8-10,24H2,1-3H3,(H,25,29);4-7,14H,8-10,21H2,1-3H3,(H,22,26);3-7,14H,8-10,21H2,1-2H3,(H,22,26)
InChIKeyMBALMNSIBYLXEM-UHFFFAOYSA-N
MW2625.62 g/mol
LogP21.86
Rot. Bonds25

About 5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide

5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 159514641) has the molecular formula C129H129ClF2N28O14S8 and a molecular weight of 2625.62 g/mol. Its IUPAC name is 5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide
PubChem CID159514641
Molecular FormulaC129H129ClF2N28O14S8
Molecular Weight2625.62 g/mol
Exact Mass2622.77
IUPAC Name5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCc1ccc(Cl)c(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)c1.Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1cncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)c1.Cc1nnc2sc(C(=O)N3CCC(NC(=O)c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(S(=O)(=O)c4ccc(OC(C)(F)F)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4ccc5c(c4)OCO5)cc3)c(N)c2c1C
InChIInChI=1S/C23H21ClN4OS.C23H20N4O3S.C22H21N5OS.C21H23F2N5O4S2.C20H23N5O3S2.C20H21N5O2S/c1-12-4-9-18(24)17(10-12)16-7-5-15(6-8-16)11-26-22(29)21-20(25)19-13(2)14(3)27-28-23(19)30-21;1-12-13(2)26-27-23-19(12)20(24)21(31-23)22(28)25-10-14-3-5-15(6-4-14)16-7-8-17-18(9-16)30-11-29-17;1-12-8-17(11-24-9-12)16-6-4-15(5-7-16)10-25-21(28)20-19(23)18-13(2)14(3)26-27-22(18)29-20;1-11-12(2)26-27-20-16(11)17(24)18(33-20)19(29)25-13-8-9-28(10-13)34(30,31)15-6-4-14(5-7-15)32-21(3,22)23;1-11-4-6-15(7-5-11)30(27,28)25-9-8-14(10-25)22-19(26)18-17(21)16-12(2)13(3)23-24-20(16)29-18;1-11-12(2)23-24-19-15(11)16(21)17(28-19)20(27)25-9-8-14(10-25)22-18(26)13-6-4-3-5-7-13/h4-10H,11,25H2,1-3H3,(H,26,29);3-9H,10-11,24H2,1-2H3,(H,25,28);4-9,11H,10,23H2,1-3H3,(H,25,28);4-7,13H,8-10,24H2,1-3H3,(H,25,29);4-7,14H,8-10,21H2,1-3H3,(H,22,26);3-7,14H,8-10,21H2,1-2H3,(H,22,26)
InChIKeyMBALMNSIBYLXEM-UHFFFAOYSA-N
XLogP21.86
TPSA621.05 Ų
H-Bond Donors12
H-Bond Acceptors39
Rotatable Bonds25
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002625.62
LogP ≤ 521.86
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1039

Analyze 5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide with MolForge

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Related Compounds

5-amino-N-[[4-(1-benzofuran-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(piperidine-1-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzenesulfonamide;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 159874411
5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-phenylcyclopropanecarbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 161580652
5-amino-N-[1-(2-chlorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-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;phenyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate
CID 158493069
5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyrrol-1-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-phenylpropane-1-sulfonamide;5-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 159124627
5-amino-N-[[3-chloro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(1-fluoroethyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 162069038

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide (CID 159514641) is 5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide is Cc1ccc(Cl)c(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)c1.Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1cncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)c1.Cc1nnc2sc(C(=O)N3CCC(NC(=O)c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(S(=O)(=O)c4ccc(OC(C)(F)F)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4ccc5c(c4)OCO5)cc3)c(N)c2c1C.
What is the InChIKey of 5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is MBALMNSIBYLXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4OS.C23H20N4O3S.C22H21N5OS.C21H23F2N5O4S2.C20H23N5O3S2.C20H21N5O2S/c1-12-4-9-18(24)17(10-12)16-7-5-15(6-8-16)11-26-22(29)21-20(25)19-13(2)14(3)27-28-23(19)30-21;1-12-13(2)26-27-23-19(12)20(24)21(31-23)22(28)25-10-14-3-5-15(6-4-14)16-7-8-17-18(9-16)30-11-29-17;1-12-8-17(11-24-9-12)16-6-4-15(5-7-16)10-25-21(28)20-19(23)18-13(2)14(3)26-27-22(18)29-20;1-11-12(2)26-27-20-16(11)17(24)18(33-20)19(29)25-13-8-9-28(10-13)34(30,31)15-6-4-14(5-7-15)32-21(3,22)23;1-11-4-6-15(7-5-11)30(27,28)25-9-8-14(10-25)22-19(26)18-17(21)16-12(2)13(3)23-24-20(16)29-18;1-11-12(2)23-24-19-15(11)16(21)17(28-19)20(27)25-9-8-14(10-25)22-18(26)13-6-4-3-5-7-13/h4-10H,11,25H2,1-3H3,(H,26,29);3-9H,10-11,24H2,1-2H3,(H,25,28);4-9,11H,10,23H2,1-3H3,(H,25,28);4-7,13H,8-10,24H2,1-3H3,(H,25,29);4-7,14H,8-10,21H2,1-3H3,(H,22,26);3-7,14H,8-10,21H2,1-2H3,(H,22,26).
What are the key properties of 5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide?
5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide has a molecular weight of 2625.62 g/mol, XLogP of 21.86, 25 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(5-methyl-3-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 159514641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).