1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C113H117F2N27O11S7 — CID 162045794

About 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 162045794) has the molecular formula C113H117F2N27O11S7 and a molecular weight of 2291.82 g/mol. Its IUPAC name is 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 162045794
• Molecular Formula: C113H117F2N27O11S7
• Molecular Weight: 2291.82 g/mol
• Exact Mass: 2289.74
• IUPAC Name: 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: CC(F)S(=O)(=O)c1ccc(CNC(=O)c2sc3nnc4c(c3c2N)CCCC4)cc1.COc1c(C)cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.Cc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)NC3CN(C(=O)Nc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(ccn4C)c3)c(N)c2c1C.Nc1c(C(=O)NCc2ccc3c(c2)CCO3)sc2nnc3c(c12)CCCC3
• InChI: InChI=1S/C20H21FN4O3S2.C20H20N4O2S.C19H20N6O2S.C19H19N5OS.C18H19FN4O2S.C17H18N4OS/c1-11(21)30(27,28)13-8-6-12(7-9-13)10-23-19(26)18-17(22)16-14-4-2-3-5-15(14)24-25-20(16)29-18;21-17-16-13-3-1-2-4-14(13)23-24-20(16)27-18(17)19(25)22-10-11-5-6-15-12(9-11)7-8-26-15;1-10-11(2)23-24-18-14(10)15(20)16(28-18)17(26)21-13-8-25(9-13)19(27)22-12-6-4-3-5-7-12;1-10-11(2)22-23-19-15(10)16(20)17(26-19)18(25)21-9-12-4-5-14-13(8-12)6-7-24(14)3;1-8-5-11(6-12(19)15(8)25-4)7-21-17(24)16-14(20)13-9(2)10(3)22-23-18(13)26-16;1-9-4-6-12(7-5-9)8-19-16(22)15-14(18)13-10(2)11(3)20-21-17(13)23-15/h6-9,11H,2-5,10,22H2,1H3,(H,23,26);5-6,9H,1-4,7-8,10,21H2,(H,22,25);3-7,13H,8-9,20H2,1-2H3,(H,21,26)(H,22,27);4-8H,9,20H2,1-3H3,(H,21,25);5-6H,7,20H2,1-4H3,(H,21,24);4-7H,8,18H2,1-3H3,(H,19,22)
• InChIKey: YXWFTHYMRNTMQZ-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 575.27 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 36
• Rotatable Bonds: 21
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2291.82
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 162045794) is 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is CC(F)S(=O)(=O)c1ccc(CNC(=O)c2sc3nnc4c(c3c2N)CCCC4)cc1.COc1c(C)cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.Cc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)NC3CN(C(=O)Nc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(ccn4C)c3)c(N)c2c1C.Nc1c(C(=O)NCc2ccc3c(c2)CCO3)sc2nnc3c(c12)CCCC3.

What is the InChIKey of 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is YXWFTHYMRNTMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3S2.C20H20N4O2S.C19H20N6O2S.C19H19N5OS.C18H19FN4O2S.C17H18N4OS/c1-11(21)30(27,28)13-8-6-12(7-9-13)10-23-19(26)18-17(22)16-14-4-2-3-5-15(14)24-25-20(16)29-18;21-17-16-13-3-1-2-4-14(13)23-24-20(16)27-18(17)19(25)22-10-11-5-6-15-12(9-11)7-8-26-15;1-10-11(2)23-24-18-14(10)15(20)16(28-18)17(26)21-13-8-25(9-13)19(27)22-12-6-4-3-5-7-12;1-10-11(2)22-23-19-15(10)16(20)17(26-19)18(25)21-9-12-4-5-14-13(8-12)6-7-24(14)3;1-8-5-11(6-12(19)15(8)25-4)7-21-17(24)16-14(20)13-9(2)10(3)22-23-18(13)26-16;1-9-4-6-12(7-5-9)8-19-16(22)15-14(18)13-10(2)11(3)20-21-17(13)23-15/h6-9,11H,2-5,10,22H2,1H3,(H,23,26);5-6,9H,1-4,7-8,10,21H2,(H,22,25);3-7,13H,8-9,20H2,1-2H3,(H,21,26)(H,22,27);4-8H,9,20H2,1-3H3,(H,21,25);5-6H,7,20H2,1-4H3,(H,21,24);4-7H,8,18H2,1-3H3,(H,19,22).

What are the key properties of 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2291.82 g/mol, XLogP of 18.44, 21 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(phenylcarbamoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[[4-(1-fluoroethylsulfonyl)phenyl]methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 162045794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).