1-amino-N-(cyclopropylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-ethylphenyl)-3-methoxyazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;1-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-3-phenylazetidin-3-yl]carbamate

C118H121F2N25O12S6 — CID 159541362

About 1-amino-N-(cyclopropylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-ethylphenyl)-3-methoxyazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;1-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-3-phenylazetidin-3-yl]carbamate

1-amino-N-(cyclopropylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-ethylphenyl)-3-methoxyazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;1-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-3-phenylazetidin-3-yl]carbamate (PubChem CID 159541362) has the molecular formula C118H121F2N25O12S6 and a molecular weight of 2311.83 g/mol. Its IUPAC name is 1-amino-N-(cyclopropylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-ethylphenyl)-3-methoxyazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;1-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-3-phenylazetidin-3-yl]carbamate.

Molecular Properties

• Compound Name: 1-amino-N-(cyclopropylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-ethylphenyl)-3-methoxyazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;1-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-3-phenylazetidin-3-yl]carbamate
• PubChem CID: 159541362
• Molecular Formula: C118H121F2N25O12S6
• Molecular Weight: 2311.83 g/mol
• Exact Mass: 2309.79
• IUPAC Name: 1-amino-N-(cyclopropylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-ethylphenyl)-3-methoxyazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;1-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-3-phenylazetidin-3-yl]carbamate
• SMILES: CC1(F)Oc2ccc(CNC(=O)c3sc4nnc5c(c4c3N)CCCC5)cc2O1.CCc1cccc(C2(OC)CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.COc1ccc(CNC(=O)c2sc3nnc4c(c3c2N)CCCC4)cc1.Cc1nnc2sc(C(=O)N3CC(F)(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NC(=O)Oc4ccccc4)(c4ccccc4)C3)c(N)c2c1C.Nc1c(C(=O)NCC2CC2)sc2nnc3c(c12)CCCC3
• InChI: InChI=1S/C25H23N5O3S.C21H24N4O2S.C20H19FN4O3S.C19H20N4O2S.C18H17FN4OS.C15H18N4OS/c1-15-16(2)28-29-22-19(15)20(26)21(34-22)23(31)30-13-25(14-30,17-9-5-3-6-10-17)27-24(32)33-18-11-7-4-8-12-18;1-5-14-7-6-8-15(9-14)21(27-4)10-25(11-21)20(26)18-17(22)16-12(2)13(3)23-24-19(16)28-18;1-20(21)27-13-7-6-10(8-14(13)28-20)9-23-18(26)17-16(22)15-11-4-2-3-5-12(11)24-25-19(15)29-17;1-25-12-8-6-11(7-9-12)10-21-18(24)17-16(20)15-13-4-2-3-5-14(13)22-23-19(15)26-17;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;16-12-11-9-3-1-2-4-10(9)18-19-15(11)21-13(12)14(20)17-7-8-5-6-8/h3-12H,13-14,26H2,1-2H3,(H,27,32);6-9H,5,10-11,22H2,1-4H3;6-8H,2-5,9,22H2,1H3,(H,23,26);6-9H,2-5,10,20H2,1H3,(H,21,24);3-7H,8-9,20H2,1-2H3;8H,1-7,16H2,(H,17,20)
• InChIKey: MEGGGGXZZKXJEL-UHFFFAOYSA-N
• XLogP: 19.57
• TPSA: 534.28 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2311.83
LogP ≤ 5	19.57
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(cyclopropylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-ethylphenyl)-3-methoxyazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;1-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-3-phenylazetidin-3-yl]carbamate?

The IUPAC name of 1-amino-N-(cyclopropylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-ethylphenyl)-3-methoxyazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;1-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-3-phenylazetidin-3-yl]carbamate (CID 159541362) is 1-amino-N-(cyclopropylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-ethylphenyl)-3-methoxyazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;1-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-3-phenylazetidin-3-yl]carbamate.

What is the SMILES notation for 1-amino-N-(cyclopropylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-ethylphenyl)-3-methoxyazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;1-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-3-phenylazetidin-3-yl]carbamate?

The canonical SMILES for 1-amino-N-(cyclopropylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-ethylphenyl)-3-methoxyazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;1-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-3-phenylazetidin-3-yl]carbamate is CC1(F)Oc2ccc(CNC(=O)c3sc4nnc5c(c4c3N)CCCC5)cc2O1.CCc1cccc(C2(OC)CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.COc1ccc(CNC(=O)c2sc3nnc4c(c3c2N)CCCC4)cc1.Cc1nnc2sc(C(=O)N3CC(F)(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NC(=O)Oc4ccccc4)(c4ccccc4)C3)c(N)c2c1C.Nc1c(C(=O)NCC2CC2)sc2nnc3c(c12)CCCC3.

What is the InChIKey of 1-amino-N-(cyclopropylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-ethylphenyl)-3-methoxyazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;1-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-3-phenylazetidin-3-yl]carbamate?

The InChIKey is MEGGGGXZZKXJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S.C21H24N4O2S.C20H19FN4O3S.C19H20N4O2S.C18H17FN4OS.C15H18N4OS/c1-15-16(2)28-29-22-19(15)20(26)21(34-22)23(31)30-13-25(14-30,17-9-5-3-6-10-17)27-24(32)33-18-11-7-4-8-12-18;1-5-14-7-6-8-15(9-14)21(27-4)10-25(11-21)20(26)18-17(22)16-12(2)13(3)23-24-19(16)28-18;1-20(21)27-13-7-6-10(8-14(13)28-20)9-23-18(26)17-16(22)15-11-4-2-3-5-12(11)24-25-19(15)29-17;1-25-12-8-6-11(7-9-12)10-21-18(24)17-16(20)15-13-4-2-3-5-14(13)22-23-19(15)26-17;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;16-12-11-9-3-1-2-4-10(9)18-19-15(11)21-13(12)14(20)17-7-8-5-6-8/h3-12H,13-14,26H2,1-2H3,(H,27,32);6-9H,5,10-11,22H2,1-4H3;6-8H,2-5,9,22H2,1H3,(H,23,26);6-9H,2-5,10,20H2,1H3,(H,21,24);3-7H,8-9,20H2,1-2H3;8H,1-7,16H2,(H,17,20).

What are the key properties of 1-amino-N-(cyclopropylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-ethylphenyl)-3-methoxyazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;1-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-3-phenylazetidin-3-yl]carbamate?

1-amino-N-(cyclopropylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-ethylphenyl)-3-methoxyazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;1-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-3-phenylazetidin-3-yl]carbamate has a molecular weight of 2311.83 g/mol, XLogP of 19.57, 20 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-N-(cyclopropylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-ethylphenyl)-3-methoxyazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;1-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-3-phenylazetidin-3-yl]carbamate is sourced from PubChem (CID 159541362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).