1-amino-N-benzyl-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-fluoroazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C108H123FN24O10S7 — CID 161341176

About 1-amino-N-benzyl-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-fluoroazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

1-amino-N-benzyl-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-fluoroazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 161341176) has the molecular formula C108H123FN24O10S7 and a molecular weight of 2160.80 g/mol. Its IUPAC name is 1-amino-N-benzyl-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-fluoroazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 1-amino-N-benzyl-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-fluoroazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 161341176
• Molecular Formula: C108H123FN24O10S7
• Molecular Weight: 2160.80 g/mol
• Exact Mass: 2158.79
• IUPAC Name: 1-amino-N-benzyl-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-fluoroazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: CCCCC1(F)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.CCCCC1(OC)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.CCS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)N3CC(C)(c4ccccc4)C3)c(N)c2c1C.Nc1c(C(=O)NCc2ccc3c(c2)CCO3)sc2nnc3c(c12)CCCC3.Nc1c(C(=O)NCc2ccccc2)sc2nnc3c(c12)CCCC3
• InChI: InChI=1S/C20H20N4O2S.C19H20N4OS.C18H20N4O3S2.C18H18N4OS.C17H24N4O2S.C16H21FN4OS/c21-17-16-13-3-1-2-4-14(13)23-24-20(16)27-18(17)19(25)22-10-11-5-6-15-12(9-11)7-8-26-15;1-11-12(2)21-22-17-14(11)15(20)16(25-17)18(24)23-9-19(3,10-23)13-7-5-4-6-8-13;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;19-15-14-12-8-4-5-9-13(12)21-22-18(14)24-16(15)17(23)20-10-11-6-2-1-3-7-11;1-5-6-7-17(23-4)8-21(9-17)16(22)14-13(18)12-10(2)11(3)19-20-15(12)24-14;1-4-5-6-16(17)7-21(8-16)15(22)13-12(18)11-9(2)10(3)19-20-14(11)23-13/h5-6,9H,1-4,7-8,10,21H2,(H,22,25);4-8H,9-10,20H2,1-3H3;5-8H,4,9,19H2,1-3H3,(H,20,23);1-3,6-7H,4-5,8-10,19H2,(H,20,23);5-9,18H2,1-4H3;4-8,18H2,1-3H3
• InChIKey: VMRKJIYFLBOHMS-UHFFFAOYSA-N
• XLogP: 18.18
• TPSA: 511.63 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2160.80
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-benzyl-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-fluoroazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 1-amino-N-benzyl-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-fluoroazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 161341176) is 1-amino-N-benzyl-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-fluoroazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 1-amino-N-benzyl-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-fluoroazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 1-amino-N-benzyl-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-fluoroazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is CCCCC1(F)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.CCCCC1(OC)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.CCS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)N3CC(C)(c4ccccc4)C3)c(N)c2c1C.Nc1c(C(=O)NCc2ccc3c(c2)CCO3)sc2nnc3c(c12)CCCC3.Nc1c(C(=O)NCc2ccccc2)sc2nnc3c(c12)CCCC3.

What is the InChIKey of 1-amino-N-benzyl-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-fluoroazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is VMRKJIYFLBOHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S.C19H20N4OS.C18H20N4O3S2.C18H18N4OS.C17H24N4O2S.C16H21FN4OS/c21-17-16-13-3-1-2-4-14(13)23-24-20(16)27-18(17)19(25)22-10-11-5-6-15-12(9-11)7-8-26-15;1-11-12(2)21-22-17-14(11)15(20)16(25-17)18(24)23-9-19(3,10-23)13-7-5-4-6-8-13;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;19-15-14-12-8-4-5-9-13(12)21-22-18(14)24-16(15)17(23)20-10-11-6-2-1-3-7-11;1-5-6-7-17(23-4)8-21(9-17)16(22)14-13(18)12-10(2)11(3)19-20-15(12)24-14;1-4-5-6-16(17)7-21(8-16)15(22)13-12(18)11-9(2)10(3)19-20-14(11)23-13/h5-6,9H,1-4,7-8,10,21H2,(H,22,25);4-8H,9-10,20H2,1-3H3;5-8H,4,9,19H2,1-3H3,(H,20,23);1-3,6-7H,4-5,8-10,19H2,(H,20,23);5-9,18H2,1-4H3;4-8,18H2,1-3H3.

What are the key properties of 1-amino-N-benzyl-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-fluoroazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

1-amino-N-benzyl-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-fluoroazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2160.80 g/mol, XLogP of 18.18, 22 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-N-benzyl-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-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-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-fluoroazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-butyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 161341176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).