5-amino-N-cyclohexyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]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-(oxan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-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;5-amino-N-[(4-hydroxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(methanesulfonamido)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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

C165H187FN48O26S15 — CID 161150436

IUPAC5-amino-N-cyclohexyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]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-(oxan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-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;5-amino-N-[(4-hydroxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(methanesulfonamido)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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(NC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)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.Cc1nnc2sc(C(=O)NC3CCCCC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCCOC3)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)NCCNS(=O)(=O)c3ccc(F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNS(C)(=O)=O)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(O)cc3)c(N)c2c1C
InChIInChI=1S/C20H22N6O2S.C20H21N5O3S.C18H19N5O3S.C17H18FN5O3S2.C17H19N5O3S3.C16H17N5O4S2.C16H16N4O2S.C15H20N4OS.C14H18N4O2S.C12H17N5O3S2/c1-10-4-6-13(7-5-10)23-20(28)26-8-14(9-26)22-18(27)17-16(21)15-11(2)12(3)24-25-19(15)29-17;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;1-10-11(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;1-9-10(2)22-23-17-13(9)14(19)15(27-17)16(24)20-7-8-21-28(25,26)12-5-3-11(18)4-6-12;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;1-8-9(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;1-8-9(2)19-20-16-12(8)13(17)14(23-16)15(22)18-7-10-3-5-11(21)6-4-10;1-8-9(2)18-19-15-11(8)12(16)13(21-15)14(20)17-10-6-4-3-5-7-10;1-7-8(2)17-18-14-10(7)11(15)12(21-14)13(19)16-9-4-3-5-20-6-9;1-6-7(2)16-17-12-8(6)9(13)10(21-12)11(18)14-4-5-15-22(3,19)20/h4-7,14H,8-9,21H2,1-3H3,(H,22,27)(H,23,28);4-7,13H,8-9,21H2,1-3H3,(H,22,26);3-7H,8-9,19H2,1-2H3,(H,20,24)(H,21,25);3-6,21H,7-8,19H2,1-2H3,(H,20,24);4-5,11H,6-7,18H2,1-3H3,(H,19,23);3-5,10H,6-7,17H2,1-2H3,(H,18,22);3-6,21H,7,17H2,1-2H3,(H,18,22);10H,3-7,16H2,1-2H3,(H,17,20);9H,3-6,15H2,1-2H3,(H,16,19);15H,4-5,13H2,1-3H3,(H,14,18)
InChIKeyUOPMGADNFRTPPB-UHFFFAOYSA-N
MW3758.62 g/mol
LogP20.60
Rot. Bonds37

About 5-amino-N-cyclohexyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]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-(oxan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-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;5-amino-N-[(4-hydroxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(methanesulfonamido)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]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-(oxan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-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;5-amino-N-[(4-hydroxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(methanesulfonamido)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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 161150436) has the molecular formula C165H187FN48O26S15 and a molecular weight of 3758.62 g/mol. Its IUPAC name is 5-amino-N-cyclohexyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]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-(oxan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-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;5-amino-N-[(4-hydroxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(methanesulfonamido)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]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-(oxan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-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;5-amino-N-[(4-hydroxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(methanesulfonamido)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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 CID161150436
Molecular FormulaC165H187FN48O26S15
Molecular Weight3758.62 g/mol
Exact Mass3755.06
IUPAC Name5-amino-N-cyclohexyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]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-(oxan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-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;5-amino-N-[(4-hydroxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(methanesulfonamido)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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(NC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)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.Cc1nnc2sc(C(=O)NC3CCCCC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCCOC3)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)NCCNS(=O)(=O)c3ccc(F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNS(C)(=O)=O)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(O)cc3)c(N)c2c1C
InChIInChI=1S/C20H22N6O2S.C20H21N5O3S.C18H19N5O3S.C17H18FN5O3S2.C17H19N5O3S3.C16H17N5O4S2.C16H16N4O2S.C15H20N4OS.C14H18N4O2S.C12H17N5O3S2/c1-10-4-6-13(7-5-10)23-20(28)26-8-14(9-26)22-18(27)17-16(21)15-11(2)12(3)24-25-19(15)29-17;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;1-10-11(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;1-9-10(2)22-23-17-13(9)14(19)15(27-17)16(24)20-7-8-21-28(25,26)12-5-3-11(18)4-6-12;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;1-8-9(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;1-8-9(2)19-20-16-12(8)13(17)14(23-16)15(22)18-7-10-3-5-11(21)6-4-10;1-8-9(2)18-19-15-11(8)12(16)13(21-15)14(20)17-10-6-4-3-5-7-10;1-7-8(2)17-18-14-10(7)11(15)12(21-14)13(19)16-9-4-3-5-20-6-9;1-6-7(2)16-17-12-8(6)9(13)10(21-12)11(18)14-4-5-15-22(3,19)20/h4-7,14H,8-9,21H2,1-3H3,(H,22,27)(H,23,28);4-7,13H,8-9,21H2,1-3H3,(H,22,26);3-7H,8-9,19H2,1-2H3,(H,20,24)(H,21,25);3-6,21H,7-8,19H2,1-2H3,(H,20,24);4-5,11H,6-7,18H2,1-3H3,(H,19,23);3-5,10H,6-7,17H2,1-2H3,(H,18,22);3-6,21H,7,17H2,1-2H3,(H,18,22);10H,3-7,16H2,1-2H3,(H,17,20);9H,3-6,15H2,1-2H3,(H,16,19);15H,4-5,13H2,1-3H3,(H,14,18)
InChIKeyUOPMGADNFRTPPB-UHFFFAOYSA-N
XLogP20.60
TPSA1118.91 Ų
H-Bond Donors25
H-Bond Acceptors67
Rotatable Bonds37
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003758.62
LogP ≤ 520.60
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1067

Computed Properties (RDKit)

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

Analyze 5-amino-N-cyclohexyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]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-(oxan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-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;5-amino-N-[(4-hydroxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(methanesulfonamido)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]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-(oxan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-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;5-amino-N-[(4-hydroxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(methanesulfonamido)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]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-(oxan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-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;5-amino-N-[(4-hydroxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(methanesulfonamido)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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 161150436) is 5-amino-N-cyclohexyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]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-(oxan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-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;5-amino-N-[(4-hydroxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(methanesulfonamido)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]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-(oxan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-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;5-amino-N-[(4-hydroxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(methanesulfonamido)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]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-(oxan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-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;5-amino-N-[(4-hydroxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(methanesulfonamido)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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(NC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)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.Cc1nnc2sc(C(=O)NC3CCCCC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCCOC3)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)NCCNS(=O)(=O)c3ccc(F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCNS(C)(=O)=O)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(O)cc3)c(N)c2c1C.
What is the InChIKey of 5-amino-N-cyclohexyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]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-(oxan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-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;5-amino-N-[(4-hydroxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(methanesulfonamido)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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 UOPMGADNFRTPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S.C20H21N5O3S.C18H19N5O3S.C17H18FN5O3S2.C17H19N5O3S3.C16H17N5O4S2.C16H16N4O2S.C15H20N4OS.C14H18N4O2S.C12H17N5O3S2/c1-10-4-6-13(7-5-10)23-20(28)26-8-14(9-26)22-18(27)17-16(21)15-11(2)12(3)24-25-19(15)29-17;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;1-10-11(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;1-9-10(2)22-23-17-13(9)14(19)15(27-17)16(24)20-7-8-21-28(25,26)12-5-3-11(18)4-6-12;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;1-8-9(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;1-8-9(2)19-20-16-12(8)13(17)14(23-16)15(22)18-7-10-3-5-11(21)6-4-10;1-8-9(2)18-19-15-11(8)12(16)13(21-15)14(20)17-10-6-4-3-5-7-10;1-7-8(2)17-18-14-10(7)11(15)12(21-14)13(19)16-9-4-3-5-20-6-9;1-6-7(2)16-17-12-8(6)9(13)10(21-12)11(18)14-4-5-15-22(3,19)20/h4-7,14H,8-9,21H2,1-3H3,(H,22,27)(H,23,28);4-7,13H,8-9,21H2,1-3H3,(H,22,26);3-7H,8-9,19H2,1-2H3,(H,20,24)(H,21,25);3-6,21H,7-8,19H2,1-2H3,(H,20,24);4-5,11H,6-7,18H2,1-3H3,(H,19,23);3-5,10H,6-7,17H2,1-2H3,(H,18,22);3-6,21H,7,17H2,1-2H3,(H,18,22);10H,3-7,16H2,1-2H3,(H,17,20);9H,3-6,15H2,1-2H3,(H,16,19);15H,4-5,13H2,1-3H3,(H,14,18).
What are the key properties of 5-amino-N-cyclohexyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]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-(oxan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-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;5-amino-N-[(4-hydroxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(methanesulfonamido)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]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-(oxan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-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;5-amino-N-[(4-hydroxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(methanesulfonamido)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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 3758.62 g/mol, XLogP of 20.60, 37 rotatable bonds, 25 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclohexyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]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-(oxan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-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;5-amino-N-[(4-hydroxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(methanesulfonamido)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(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 161150436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).