(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-methylphenyl)methylamino]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-4-ylmethylamino)azetidin-1-yl]methanone;1-amino-N-[(4-methylsulfonylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide

C96H105N23O9S6 — CID 161114919

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-methylphenyl)methylamino]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-4-ylmethylamino)azetidin-1-yl]methanone;1-amino-N-[(4-methylsulfonylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-methylphenyl)methylamino]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-4-ylmethylamino)azetidin-1-yl]methanone;1-amino-N-[(4-methylsulfonylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide (PubChem CID 161114919) has the molecular formula C96H105N23O9S6 and a molecular weight of 1917.45 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-methylphenyl)methylamino]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-4-ylmethylamino)azetidin-1-yl]methanone;1-amino-N-[(4-methylsulfonylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide.

Molecular Properties

• Compound Name: (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-methylphenyl)methylamino]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-4-ylmethylamino)azetidin-1-yl]methanone;1-amino-N-[(4-methylsulfonylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide
• PubChem CID: 161114919
• Molecular Formula: C96H105N23O9S6
• Molecular Weight: 1917.45 g/mol
• Exact Mass: 1915.68
• IUPAC Name: (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-methylphenyl)methylamino]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-4-ylmethylamino)azetidin-1-yl]methanone;1-amino-N-[(4-methylsulfonylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide
• SMILES: COC1(c2ccc(C)cc2)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.COc1ccc2c(c1)CCN(C(=O)c1sc3nnc(C)c(C)c3c1N)C2.CS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc4c(c3c2N)CCCC4)cc1.Cc1ccc(CNC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)N3CC(NCc4ccncc4)C3)c(N)c2c1C
• InChI: InChI=1S/C20H23N5OS.C20H22N4O2S.C19H20N4O3S2.C19H20N4O2S.C18H20N6OS/c1-11-4-6-14(7-5-11)8-22-15-9-25(10-15)20(26)18-17(21)16-12(2)13(3)23-24-19(16)27-18;1-11-5-7-14(8-6-11)20(26-4)9-24(10-20)19(25)17-16(21)15-12(2)13(3)22-23-18(15)27-17;1-28(25,26)12-8-6-11(7-9-12)10-21-18(24)17-16(20)15-13-4-2-3-5-14(13)22-23-19(15)27-17;1-10-11(2)21-22-18-15(10)16(20)17(26-18)19(24)23-7-6-12-8-14(25-3)5-4-13(12)9-23;1-10-11(2)22-23-17-14(10)15(19)16(26-17)18(25)24-8-13(9-24)21-7-12-3-5-20-6-4-12/h4-7,15,22H,8-10,21H2,1-3H3;5-8H,9-10,21H2,1-4H3;6-9H,2-5,10,20H2,1H3,(H,21,24);4-5,8H,6-7,9,20H2,1-3H3;3-6,13,21H,7-9,19H2,1-2H3
• InChIKey: UKEMEVZLJCUECM-UHFFFAOYSA-N
• XLogP: 13.49
• TPSA: 458.89 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 17
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1917.45
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-methylphenyl)methylamino]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-4-ylmethylamino)azetidin-1-yl]methanone;1-amino-N-[(4-methylsulfonylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?

The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-methylphenyl)methylamino]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-4-ylmethylamino)azetidin-1-yl]methanone;1-amino-N-[(4-methylsulfonylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide (CID 161114919) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-methylphenyl)methylamino]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-4-ylmethylamino)azetidin-1-yl]methanone;1-amino-N-[(4-methylsulfonylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide.

What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-methylphenyl)methylamino]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-4-ylmethylamino)azetidin-1-yl]methanone;1-amino-N-[(4-methylsulfonylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?

The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-methylphenyl)methylamino]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-4-ylmethylamino)azetidin-1-yl]methanone;1-amino-N-[(4-methylsulfonylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide is COC1(c2ccc(C)cc2)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.COc1ccc2c(c1)CCN(C(=O)c1sc3nnc(C)c(C)c3c1N)C2.CS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc4c(c3c2N)CCCC4)cc1.Cc1ccc(CNC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)N3CC(NCc4ccncc4)C3)c(N)c2c1C.

What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-methylphenyl)methylamino]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-4-ylmethylamino)azetidin-1-yl]methanone;1-amino-N-[(4-methylsulfonylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?

The InChIKey is UKEMEVZLJCUECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS.C20H22N4O2S.C19H20N4O3S2.C19H20N4O2S.C18H20N6OS/c1-11-4-6-14(7-5-11)8-22-15-9-25(10-15)20(26)18-17(21)16-12(2)13(3)23-24-19(16)27-18;1-11-5-7-14(8-6-11)20(26-4)9-24(10-20)19(25)17-16(21)15-12(2)13(3)22-23-18(15)27-17;1-28(25,26)12-8-6-11(7-9-12)10-21-18(24)17-16(20)15-13-4-2-3-5-14(13)22-23-19(15)27-17;1-10-11(2)21-22-18-15(10)16(20)17(26-18)19(24)23-7-6-12-8-14(25-3)5-4-13(12)9-23;1-10-11(2)22-23-17-14(10)15(19)16(26-17)18(25)24-8-13(9-24)21-7-12-3-5-20-6-4-12/h4-7,15,22H,8-10,21H2,1-3H3;5-8H,9-10,21H2,1-4H3;6-9H,2-5,10,20H2,1H3,(H,21,24);4-5,8H,6-7,9,20H2,1-3H3;3-6,13,21H,7-9,19H2,1-2H3.

What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-methylphenyl)methylamino]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-4-ylmethylamino)azetidin-1-yl]methanone;1-amino-N-[(4-methylsulfonylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-methylphenyl)methylamino]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-4-ylmethylamino)azetidin-1-yl]methanone;1-amino-N-[(4-methylsulfonylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide has a molecular weight of 1917.45 g/mol, XLogP of 13.49, 17 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-methylphenyl)methylamino]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-4-ylmethylamino)azetidin-1-yl]methanone;1-amino-N-[(4-methylsulfonylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide is sourced from PubChem (CID 161114919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).