1-amino-N-(1,3-benzodioxol-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C109H126FN25O14S8 — CID 161008902

About 1-amino-N-(1,3-benzodioxol-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

1-amino-N-(1,3-benzodioxol-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 161008902) has the molecular formula C109H126FN25O14S8 and a molecular weight of 2285.90 g/mol. Its IUPAC name is 1-amino-N-(1,3-benzodioxol-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-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-(1,3-benzodioxol-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 161008902
• Molecular Formula: C109H126FN25O14S8
• Molecular Weight: 2285.90 g/mol
• Exact Mass: 2283.77
• IUPAC Name: 1-amino-N-(1,3-benzodioxol-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: CCCCC1(OC)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.CCS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COC1(C2CCCCC2)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.Cc1nnc2sc(C(=O)N3CC(F)(c4ccccn4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)C)cc3)c(N)c2c1C.Nc1c(C(=O)NCc2ccc3c(c2)OCO3)sc2nnc3c(c12)CCCC3
• InChI: InChI=1S/C19H22N4O3S2.C19H18N4O3S.C19H26N4O2S.C18H20N4O3S2.C17H16FN5OS.C17H24N4O2S/c1-10(2)28(25,26)14-7-5-13(6-8-14)9-21-18(24)17-16(20)15-11(3)12(4)22-23-19(15)27-17;20-16-15-11-3-1-2-4-12(11)22-23-19(15)27-17(16)18(24)21-8-10-5-6-13-14(7-10)26-9-25-13;1-11-12(2)21-22-17-14(11)15(20)16(26-17)18(24)23-9-19(10-23,25-3)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;1-9-10(2)21-22-15-12(9)13(19)14(25-15)16(24)23-7-17(18,8-23)11-5-3-4-6-20-11;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/h5-8,10H,9,20H2,1-4H3,(H,21,24);5-7H,1-4,8-9,20H2,(H,21,24);13H,4-10,20H2,1-3H3;5-8H,4,9,19H2,1-3H3,(H,20,23);3-6H,7-8,19H2,1-2H3;5-9,18H2,1-4H3
• InChIKey: TWWJJZSARLTMES-UHFFFAOYSA-N
• XLogP: 17.27
• TPSA: 577.12 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 23
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2285.90
LogP ≤ 5	17.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1,3-benzodioxol-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-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-(1,3-benzodioxol-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 161008902) is 1-amino-N-(1,3-benzodioxol-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-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-(1,3-benzodioxol-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-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-(1,3-benzodioxol-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is CCCCC1(OC)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.CCS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COC1(C2CCCCC2)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.Cc1nnc2sc(C(=O)N3CC(F)(c4ccccn4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)C)cc3)c(N)c2c1C.Nc1c(C(=O)NCc2ccc3c(c2)OCO3)sc2nnc3c(c12)CCCC3.

What is the InChIKey of 1-amino-N-(1,3-benzodioxol-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is TWWJJZSARLTMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2.C19H18N4O3S.C19H26N4O2S.C18H20N4O3S2.C17H16FN5OS.C17H24N4O2S/c1-10(2)28(25,26)14-7-5-13(6-8-14)9-21-18(24)17-16(20)15-11(3)12(4)22-23-19(15)27-17;20-16-15-11-3-1-2-4-12(11)22-23-19(15)27-17(16)18(24)21-8-10-5-6-13-14(7-10)26-9-25-13;1-11-12(2)21-22-17-14(11)15(20)16(26-17)18(24)23-9-19(10-23,25-3)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;1-9-10(2)21-22-15-12(9)13(19)14(25-15)16(24)23-7-17(18,8-23)11-5-3-4-6-20-11;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/h5-8,10H,9,20H2,1-4H3,(H,21,24);5-7H,1-4,8-9,20H2,(H,21,24);13H,4-10,20H2,1-3H3;5-8H,4,9,19H2,1-3H3,(H,20,23);3-6H,7-8,19H2,1-2H3;5-9,18H2,1-4H3.

What are the key properties of 1-amino-N-(1,3-benzodioxol-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

1-amino-N-(1,3-benzodioxol-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2285.90 g/mol, XLogP of 17.27, 23 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-N-(1,3-benzodioxol-5-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(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-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 161008902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).