5-amino-N-[[4-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfonyl]phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

C123H139N27O16S8Si — CID 158202658

About 5-amino-N-[[4-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfonyl]phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

5-amino-N-[[4-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfonyl]phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate (PubChem CID 158202658) has the molecular formula C123H139N27O16S8Si and a molecular weight of 2536.26 g/mol. Its IUPAC name is 5-amino-N-[[4-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfonyl]phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate.

Molecular Properties

• Compound Name: 5-amino-N-[[4-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfonyl]phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
• PubChem CID: 158202658
• Molecular Formula: C123H139N27O16S8Si
• Molecular Weight: 2536.26 g/mol
• Exact Mass: 2533.84
• IUPAC Name: 5-amino-N-[[4-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfonyl]phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
• SMILES: C=S(C)(=O)N1CC(NC(=O)c2sc3nnc(C)c(C)c3c2N)C1.COc1ccc(C2CC2N(C)C(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COc1ccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)N3CC4CN(C(=O)Oc5ccccc5)CC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3)c(N)c2c1C
• InChI: InChI=1S/C34H38N4O4S2Si.C22H23N5O3S.C20H21N5O4S.C20H22N4O2S.C14H19N5O2S2.C13H16N4OS/c1-23-24(2)37-38-33-29(23)30(35)31(43-33)32(39)36-22-25-16-18-26(19-17-25)44(40,41)21-20-42-45(34(3,4)5,27-12-8-6-9-13-27)28-14-10-7-11-15-28;1-12-13(2)24-25-20-17(12)18(23)19(31-20)21(28)26-8-14-10-27(11-15(14)9-26)22(29)30-16-6-4-3-5-7-16;1-10-11(2)23-24-19-15(10)16(21)17(30-19)18(26)22-12-8-25(9-12)20(27)29-14-6-4-13(28-3)5-7-14;1-10-11(2)22-23-19-16(10)17(21)18(27-19)20(25)24(3)15-9-14(15)12-5-7-13(26-4)8-6-12;1-7-8(2)17-18-14-10(7)11(15)12(22-14)13(20)16-9-5-19(6-9)23(3,4)21;1-6-7(2)16-17-13-9(6)10(14)11(19-13)12(18)15-8-4-3-5-8/h6-19H,20-22,35H2,1-5H3,(H,36,39);3-7,14-15H,8-11,23H2,1-2H3;4-7,12H,8-9,21H2,1-3H3,(H,22,26);5-8,14-15H,9,21H2,1-4H3;9H,3,5-6,15H2,1-2,4H3,(H,16,20);8H,3-5,14H2,1-2H3,(H,15,18)
• InChIKey: GBCXTOUKRAWYNR-UHFFFAOYSA-N
• XLogP: 17.04
• TPSA: 609.04 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2536.26
LogP ≤ 5	17.04
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfonyl]phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate?

The IUPAC name of 5-amino-N-[[4-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfonyl]phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate (CID 158202658) is 5-amino-N-[[4-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfonyl]phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate.

What is the SMILES notation for 5-amino-N-[[4-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfonyl]phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate?

The canonical SMILES for 5-amino-N-[[4-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfonyl]phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate is C=S(C)(=O)N1CC(NC(=O)c2sc3nnc(C)c(C)c3c2N)C1.COc1ccc(C2CC2N(C)C(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COc1ccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)N3CC4CN(C(=O)Oc5ccccc5)CC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[[4-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfonyl]phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate?

The InChIKey is GBCXTOUKRAWYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O4S2Si.C22H23N5O3S.C20H21N5O4S.C20H22N4O2S.C14H19N5O2S2.C13H16N4OS/c1-23-24(2)37-38-33-29(23)30(35)31(43-33)32(39)36-22-25-16-18-26(19-17-25)44(40,41)21-20-42-45(34(3,4)5,27-12-8-6-9-13-27)28-14-10-7-11-15-28;1-12-13(2)24-25-20-17(12)18(23)19(31-20)21(28)26-8-14-10-27(11-15(14)9-26)22(29)30-16-6-4-3-5-7-16;1-10-11(2)23-24-19-15(10)16(21)17(30-19)18(26)22-12-8-25(9-12)20(27)29-14-6-4-13(28-3)5-7-14;1-10-11(2)22-23-19-16(10)17(21)18(27-19)20(25)24(3)15-9-14(15)12-5-7-13(26-4)8-6-12;1-7-8(2)17-18-14-10(7)11(15)12(22-14)13(20)16-9-5-19(6-9)23(3,4)21;1-6-7(2)16-17-13-9(6)10(14)11(19-13)12(18)15-8-4-3-5-8/h6-19H,20-22,35H2,1-5H3,(H,36,39);3-7,14-15H,8-11,23H2,1-2H3;4-7,12H,8-9,21H2,1-3H3,(H,22,26);5-8,14-15H,9,21H2,1-4H3;9H,3,5-6,15H2,1-2,4H3,(H,16,20);8H,3-5,14H2,1-2H3,(H,15,18).

What are the key properties of 5-amino-N-[[4-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfonyl]phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate?

5-amino-N-[[4-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfonyl]phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate has a molecular weight of 2536.26 g/mol, XLogP of 17.04, 25 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[[4-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfonyl]phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;phenyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate is sourced from PubChem (CID 158202658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).