1-amino-N-(cyclopropylmethyl)-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-methoxy-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-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

C120H125N25O13S6 — CID 159838168

About 1-amino-N-(cyclopropylmethyl)-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-methoxy-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-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;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-methoxy-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-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 159838168) has the molecular formula C120H125N25O13S6 and a molecular weight of 2317.88 g/mol. Its IUPAC name is 1-amino-N-(cyclopropylmethyl)-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-methoxy-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-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;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-methoxy-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-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: 159838168
• Molecular Formula: C120H125N25O13S6
• Molecular Weight: 2317.88 g/mol
• Exact Mass: 2315.82
• IUPAC Name: 1-amino-N-(cyclopropylmethyl)-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-methoxy-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-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: COc1ccc(C2CC2NC(=O)c2sc3nnc4c(c3c2N)CCCC4)cc1.COc1cccc(C2(OC)CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)N3CC(C)(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NC(=O)Oc4ccccc4)(c4ccccc4)C3)c(N)c2c1C.Nc1c(C(=O)NCC2CC2)sc2nnc3c(c12)CCCC3.Nc1c(C(=O)NCc2ccc3c(c2)OCCO3)sc2nnc3c(c12)CCCC3
• InChI: InChI=1S/C25H23N5O3S.C21H22N4O2S.C20H20N4O3S.C20H22N4O3S.C19H20N4OS.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;1-27-12-8-6-11(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;1-11-12(2)22-23-18-15(11)16(21)17(28-18)19(25)24-9-20(10-24,27-4)13-6-5-7-14(8-13)26-3;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;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);6-9,14,16H,2-5,10,22H2,1H3,(H,23,26);5-6,9H,1-4,7-8,10,21H2,(H,22,25);5-8H,9-10,21H2,1-4H3;4-8H,9-10,20H2,1-3H3;8H,1-7,16H2,(H,17,20)
• InChIKey: NOIQOAGFOONXAL-UHFFFAOYSA-N
• XLogP: 18.82
• TPSA: 543.51 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2317.88
LogP ≤ 5	18.82
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(cyclopropylmethyl)-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-methoxy-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-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;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-methoxy-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-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 159838168) is 1-amino-N-(cyclopropylmethyl)-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-methoxy-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-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;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-methoxy-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-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;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-methoxy-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-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 COc1ccc(C2CC2NC(=O)c2sc3nnc4c(c3c2N)CCCC4)cc1.COc1cccc(C2(OC)CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)N3CC(C)(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NC(=O)Oc4ccccc4)(c4ccccc4)C3)c(N)c2c1C.Nc1c(C(=O)NCC2CC2)sc2nnc3c(c12)CCCC3.Nc1c(C(=O)NCc2ccc3c(c2)OCCO3)sc2nnc3c(c12)CCCC3.

What is the InChIKey of 1-amino-N-(cyclopropylmethyl)-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-methoxy-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-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 NOIQOAGFOONXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S.C21H22N4O2S.C20H20N4O3S.C20H22N4O3S.C19H20N4OS.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;1-27-12-8-6-11(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;1-11-12(2)22-23-18-15(11)16(21)17(28-18)19(25)24-9-20(10-24,27-4)13-6-5-7-14(8-13)26-3;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;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);6-9,14,16H,2-5,10,22H2,1H3,(H,23,26);5-6,9H,1-4,7-8,10,21H2,(H,22,25);5-8H,9-10,21H2,1-4H3;4-8H,9-10,20H2,1-3H3;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;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-methoxy-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-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;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-methoxy-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-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 2317.88 g/mol, XLogP of 18.82, 20 rotatable bonds, 10 hydrogen bond donors, and 37 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;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-methoxy-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-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 159838168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).