1-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(2-fluoro-3-methylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide

C115H117F3N24O10S6 — CID 160559082

About 1-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(2-fluoro-3-methylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide

1-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(2-fluoro-3-methylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide (PubChem CID 160559082) has the molecular formula C115H117F3N24O10S6 and a molecular weight of 2244.75 g/mol. Its IUPAC name is 1-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(2-fluoro-3-methylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide.

Molecular Properties

• Compound Name: 1-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(2-fluoro-3-methylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide
• PubChem CID: 160559082
• Molecular Formula: C115H117F3N24O10S6
• Molecular Weight: 2244.75 g/mol
• Exact Mass: 2242.77
• IUPAC Name: 1-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(2-fluoro-3-methylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide
• SMILES: COc1c(C)cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.COc1ccc(C2CC2NC(=O)c2sc3nnc4c(c3c2N)CCCC4)cc1.Cc1cccc(CNC(=O)c2sc3nnc4c(c3c2N)CCCC4)c1F.Cc1nnc2sc(C(=O)N3CC(C)(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(F)(c4ccccc4)C3)c(N)c2c1C.Nc1c(C(=O)NCc2ccc3c(c2)OCCO3)sc2nnc3c(c12)CCCC3
• InChI: InChI=1S/C21H22N4O2S.C20H20N4O3S.C19H19FN4OS.C19H20N4OS.C18H19FN4O2S.C18H17FN4OS/c1-27-12-8-6-11(7-9-12)14-10-16(14)23-20(26)19-18(22)17-13-4-2-3-5-15(13)24-25-21(17)28-19;21-17-16-12-3-1-2-4-13(12)23-24-20(16)28-18(17)19(25)22-10-11-5-6-14-15(9-11)27-8-7-26-14;1-10-5-4-6-11(15(10)20)9-22-18(25)17-16(21)14-12-7-2-3-8-13(12)23-24-19(14)26-17;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;1-8-5-11(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;1-10-11(2)21-22-16-13(10)14(20)15(25-16)17(24)23-8-18(19,9-23)12-6-4-3-5-7-12/h6-9,14,16H,2-5,10,22H2,1H3,(H,23,26);5-6,9H,1-4,7-8,10,21H2,(H,22,25);4-6H,2-3,7-9,21H2,1H3,(H,22,25);4-8H,9-10,20H2,1-3H3;5-6H,7,20H2,1-4H3,(H,21,24);3-7H,8-9,20H2,1-2H3
• InChIKey: QZBLYBWSIJPTGQ-UHFFFAOYSA-N
• XLogP: 19.62
• TPSA: 504.74 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2244.75
LogP ≤ 5	19.62
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(2-fluoro-3-methylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?

The IUPAC name of 1-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(2-fluoro-3-methylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide (CID 160559082) is 1-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(2-fluoro-3-methylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide.

What is the SMILES notation for 1-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(2-fluoro-3-methylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?

The canonical SMILES for 1-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(2-fluoro-3-methylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide is COc1c(C)cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.COc1ccc(C2CC2NC(=O)c2sc3nnc4c(c3c2N)CCCC4)cc1.Cc1cccc(CNC(=O)c2sc3nnc4c(c3c2N)CCCC4)c1F.Cc1nnc2sc(C(=O)N3CC(C)(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(F)(c4ccccc4)C3)c(N)c2c1C.Nc1c(C(=O)NCc2ccc3c(c2)OCCO3)sc2nnc3c(c12)CCCC3.

What is the InChIKey of 1-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(2-fluoro-3-methylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?

The InChIKey is QZBLYBWSIJPTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S.C20H20N4O3S.C19H19FN4OS.C19H20N4OS.C18H19FN4O2S.C18H17FN4OS/c1-27-12-8-6-11(7-9-12)14-10-16(14)23-20(26)19-18(22)17-13-4-2-3-5-15(13)24-25-21(17)28-19;21-17-16-12-3-1-2-4-13(12)23-24-20(16)28-18(17)19(25)22-10-11-5-6-14-15(9-11)27-8-7-26-14;1-10-5-4-6-11(15(10)20)9-22-18(25)17-16(21)14-12-7-2-3-8-13(12)23-24-19(14)26-17;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;1-8-5-11(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;1-10-11(2)21-22-16-13(10)14(20)15(25-16)17(24)23-8-18(19,9-23)12-6-4-3-5-7-12/h6-9,14,16H,2-5,10,22H2,1H3,(H,23,26);5-6,9H,1-4,7-8,10,21H2,(H,22,25);4-6H,2-3,7-9,21H2,1H3,(H,22,25);4-8H,9-10,20H2,1-3H3;5-6H,7,20H2,1-4H3,(H,21,24);3-7H,8-9,20H2,1-2H3.

What are the key properties of 1-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(2-fluoro-3-methylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?

1-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(2-fluoro-3-methylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide has a molecular weight of 2244.75 g/mol, XLogP of 19.62, 18 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;5-amino-N-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(2-fluoro-3-methylphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide is sourced from PubChem (CID 160559082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).