5-amino-3,4-dimethyl-N-[1-(naphthalene-2-carbonyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]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]-2-cyclohexylethanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluoro-3-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C103H114FN23O12S7 — CID 159536345

About 5-amino-3,4-dimethyl-N-[1-(naphthalene-2-carbonyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]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]-2-cyclohexylethanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluoro-3-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-3,4-dimethyl-N-[1-(naphthalene-2-carbonyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]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]-2-cyclohexylethanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluoro-3-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 159536345) has the molecular formula C103H114FN23O12S7 and a molecular weight of 2109.66 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-[1-(naphthalene-2-carbonyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]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]-2-cyclohexylethanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluoro-3-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3,4-dimethyl-N-[1-(naphthalene-2-carbonyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]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]-2-cyclohexylethanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluoro-3-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 159536345
• Molecular Formula: C103H114FN23O12S7
• Molecular Weight: 2109.66 g/mol
• Exact Mass: 2107.70
• IUPAC Name: 5-amino-3,4-dimethyl-N-[1-(naphthalene-2-carbonyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]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]-2-cyclohexylethanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluoro-3-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: CCCS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1cc(C(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)ccc1F.Cc1nnc2sc(C(=O)N3CC4CN(C(=O)CC5CCCCC5)CC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccc5ccccc5c4)C3)c(N)c2c1C
• InChI: InChI=1S/C23H21N5O2S.C23H31N5O2S.C20H20FN5O2S.C19H22N4O3S2.C18H20N4O3S2/c1-12-13(2)26-27-22-18(12)19(24)20(31-22)21(29)25-17-10-28(11-17)23(30)16-8-7-14-5-3-4-6-15(14)9-16;1-13-14(2)25-26-22-19(13)20(24)21(31-22)23(30)28-11-16-9-27(10-17(16)12-28)18(29)8-15-6-4-3-5-7-15;1-9-6-12(4-5-14(9)21)20(28)26-7-13(8-26)23-18(27)17-16(22)15-10(2)11(3)24-25-19(15)29-17;1-4-9-28(25,26)14-7-5-13(6-8-14)10-21-18(24)17-16(20)15-11(2)12(3)22-23-19(15)27-17;1-4-27(24,25)13-7-5-12(6-8-13)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)26-16/h3-9,17H,10-11,24H2,1-2H3,(H,25,29);15-17H,3-12,24H2,1-2H3;4-6,13H,7-8,22H2,1-3H3,(H,23,27);5-8H,4,9-10,20H2,1-3H3,(H,21,24);5-8H,4,9,19H2,1-3H3,(H,20,23)
• InChIKey: MDQGLRZVLVHSKU-UHFFFAOYSA-N
• XLogP: 14.90
• TPSA: 524.92 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2109.66
LogP ≤ 5	14.90
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4-dimethyl-N-[1-(naphthalene-2-carbonyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]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]-2-cyclohexylethanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluoro-3-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-3,4-dimethyl-N-[1-(naphthalene-2-carbonyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]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]-2-cyclohexylethanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluoro-3-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 159536345) is 5-amino-3,4-dimethyl-N-[1-(naphthalene-2-carbonyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]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]-2-cyclohexylethanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluoro-3-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-3,4-dimethyl-N-[1-(naphthalene-2-carbonyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]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]-2-cyclohexylethanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluoro-3-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-3,4-dimethyl-N-[1-(naphthalene-2-carbonyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]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]-2-cyclohexylethanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluoro-3-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is CCCS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1cc(C(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)ccc1F.Cc1nnc2sc(C(=O)N3CC4CN(C(=O)CC5CCCCC5)CC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccc5ccccc5c4)C3)c(N)c2c1C.

What is the InChIKey of 5-amino-3,4-dimethyl-N-[1-(naphthalene-2-carbonyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]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]-2-cyclohexylethanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluoro-3-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is MDQGLRZVLVHSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S.C23H31N5O2S.C20H20FN5O2S.C19H22N4O3S2.C18H20N4O3S2/c1-12-13(2)26-27-22-18(12)19(24)20(31-22)21(29)25-17-10-28(11-17)23(30)16-8-7-14-5-3-4-6-15(14)9-16;1-13-14(2)25-26-22-19(13)20(24)21(31-22)23(30)28-11-16-9-27(10-17(16)12-28)18(29)8-15-6-4-3-5-7-15;1-9-6-12(4-5-14(9)21)20(28)26-7-13(8-26)23-18(27)17-16(22)15-10(2)11(3)24-25-19(15)29-17;1-4-9-28(25,26)14-7-5-13(6-8-14)10-21-18(24)17-16(20)15-11(2)12(3)22-23-19(15)27-17;1-4-27(24,25)13-7-5-12(6-8-13)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)26-16/h3-9,17H,10-11,24H2,1-2H3,(H,25,29);15-17H,3-12,24H2,1-2H3;4-6,13H,7-8,22H2,1-3H3,(H,23,27);5-8H,4,9-10,20H2,1-3H3,(H,21,24);5-8H,4,9,19H2,1-3H3,(H,20,23).

What are the key properties of 5-amino-3,4-dimethyl-N-[1-(naphthalene-2-carbonyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]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]-2-cyclohexylethanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluoro-3-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

5-amino-3,4-dimethyl-N-[1-(naphthalene-2-carbonyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]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]-2-cyclohexylethanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluoro-3-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2109.66 g/mol, XLogP of 14.90, 20 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3,4-dimethyl-N-[1-(naphthalene-2-carbonyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]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]-2-cyclohexylethanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluoro-3-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 159536345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).