3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile;6-amino-N-phenyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;1-(5-ethyl-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)ethanone;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine
C105H96F3N19O5S7 — CID 159427184
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile;6-amino-N-phenyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;1-(5-ethyl-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)ethanone;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCc1c(C)nc2sc(C(C)=O)c(-n3cccc3)c2c1C.Cc1cc(-c2cccs2)c2c(N)c(C#N)sc2n1.Cc1nc2sc(-c3nc(-c4cccnc4)no3)c(N)c2c(C)c1C.Cc1nc2sc(-c3ncc(-c4ccccc4)o3)c(N)c2c(C)c1C.Nc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2nc3c(cc12)CCCCC3.Nc1c(C(=O)Nc2ccccc2)sc2nc3c(cc12)CCCCC3
InChIInChI=1S/C20H18F3N3OS.C19H17N3OS.C19H19N3OS.C17H15N5OS.C17H18N2OS.C13H9N3S2/c21-20(22,23)12-6-8-13(9-7-12)25-18(27)17-16(24)14-10-11-4-2-1-3-5-15(11)26-19(14)28-17;1-10-11(2)15-16(20)17(24-19(15)22-12(10)3)18-21-9-14(23-18)13-7-5-4-6-8-13;20-16-14-11-12-7-3-1-6-10-15(12)22-19(14)24-17(16)18(23)21-13-8-4-2-5-9-13;1-8-9(2)12-13(18)14(24-17(12)20-10(8)3)16-21-15(22-23-16)11-5-4-6-19-7-11;1-5-13-10(2)14-15(19-8-6-7-9-19)16(12(4)20)21-17(14)18-11(13)3;1-7-5-8(9-3-2-4-17-9)11-12(15)10(6-14)18-13(11)16-7/h6-10H,1-5,24H2,(H,25,27);4-9H,20H2,1-3H3;2,4-5,8-9,11H,1,3,6-7,10,20H2,(H,21,23);4-7H,18H2,1-3H3;6-9H,5H2,1-4H3;2-5H,15H2,1H3
InChIKeyLQMZBTYRQMRVSZ-UHFFFAOYSA-N
MW1985.51 g/mol
LogP27.12
Rot. Bonds12
About 3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile;6-amino-N-phenyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;1-(5-ethyl-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)ethanone;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine
3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile;6-amino-N-phenyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;1-(5-ethyl-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)ethanone;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 159427184) has the molecular formula C105H96F3N19O5S7 and a molecular weight of 1985.51 g/mol. Its IUPAC name is 3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile;6-amino-N-phenyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;1-(5-ethyl-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)ethanone;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine.
Molecular Properties
| Compound Name | 3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile;6-amino-N-phenyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;1-(5-ethyl-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)ethanone;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine |
|---|---|
| PubChem CID | 159427184 |
| Molecular Formula | C105H96F3N19O5S7 |
| Molecular Weight | 1985.51 g/mol |
| Exact Mass | 1983.58 |
| IUPAC Name | 3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile;6-amino-N-phenyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;1-(5-ethyl-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)ethanone;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine |
| SMILES | CCc1c(C)nc2sc(C(C)=O)c(-n3cccc3)c2c1C.Cc1cc(-c2cccs2)c2c(N)c(C#N)sc2n1.Cc1nc2sc(-c3nc(-c4cccnc4)no3)c(N)c2c(C)c1C.Cc1nc2sc(-c3ncc(-c4ccccc4)o3)c(N)c2c(C)c1C.Nc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2nc3c(cc12)CCCCC3.Nc1c(C(=O)Nc2ccccc2)sc2nc3c(cc12)CCCCC3 |
| InChI | InChI=1S/C20H18F3N3OS.C19H17N3OS.C19H19N3OS.C17H15N5OS.C17H18N2OS.C13H9N3S2/c21-20(22,23)12-6-8-13(9-7-12)25-18(27)17-16(24)14-10-11-4-2-1-3-5-15(11)26-19(14)28-17;1-10-11(2)15-16(20)17(24-19(15)22-12(10)3)18-21-9-14(23-18)13-7-5-4-6-8-13;20-16-14-11-12-7-3-1-6-10-15(12)22-19(14)24-17(16)18(23)21-13-8-4-2-5-9-13;1-8-9(2)12-13(18)14(24-17(12)20-10(8)3)16-21-15(22-23-16)11-5-4-6-19-7-11;1-5-13-10(2)14-15(19-8-6-7-9-19)16(12(4)20)21-17(14)18-11(13)3;1-7-5-8(9-3-2-4-17-9)11-12(15)10(6-14)18-13(11)16-7/h6-10H,1-5,24H2,(H,25,27);4-9H,20H2,1-3H3;2,4-5,8-9,11H,1,3,6-7,10,20H2,(H,21,23);4-7H,18H2,1-3H3;6-9H,5H2,1-4H3;2-5H,15H2,1H3 |
| InChIKey | LQMZBTYRQMRVSZ-UHFFFAOYSA-N |
| XLogP | 27.12 |
| TPSA | 389.27 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 139 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1985.51 |
| LogP ≤ 5 | 27.12 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 29 |
Frequently Asked Questions
What is the IUPAC name of 3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile;6-amino-N-phenyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;1-(5-ethyl-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)ethanone;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile;6-amino-N-phenyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;1-(5-ethyl-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)ethanone;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine (CID 159427184) is 3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile;6-amino-N-phenyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;1-(5-ethyl-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)ethanone;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile;6-amino-N-phenyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;1-(5-ethyl-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)ethanone;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile;6-amino-N-phenyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;1-(5-ethyl-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)ethanone;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine is CCc1c(C)nc2sc(C(C)=O)c(-n3cccc3)c2c1C.Cc1cc(-c2cccs2)c2c(N)c(C#N)sc2n1.Cc1nc2sc(-c3nc(-c4cccnc4)no3)c(N)c2c(C)c1C.Cc1nc2sc(-c3ncc(-c4ccccc4)o3)c(N)c2c(C)c1C.Nc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2nc3c(cc12)CCCCC3.Nc1c(C(=O)Nc2ccccc2)sc2nc3c(cc12)CCCCC3.
What is the InChIKey of 3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile;6-amino-N-phenyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;1-(5-ethyl-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)ethanone;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is LQMZBTYRQMRVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3OS.C19H17N3OS.C19H19N3OS.C17H15N5OS.C17H18N2OS.C13H9N3S2/c21-20(22,23)12-6-8-13(9-7-12)25-18(27)17-16(24)14-10-11-4-2-1-3-5-15(11)26-19(14)28-17;1-10-11(2)15-16(20)17(24-19(15)22-12(10)3)18-21-9-14(23-18)13-7-5-4-6-8-13;20-16-14-11-12-7-3-1-6-10-15(12)22-19(14)24-17(16)18(23)21-13-8-4-2-5-9-13;1-8-9(2)12-13(18)14(24-17(12)20-10(8)3)16-21-15(22-23-16)11-5-4-6-19-7-11;1-5-13-10(2)14-15(19-8-6-7-9-19)16(12(4)20)21-17(14)18-11(13)3;1-7-5-8(9-3-2-4-17-9)11-12(15)10(6-14)18-13(11)16-7/h6-10H,1-5,24H2,(H,25,27);4-9H,20H2,1-3H3;2,4-5,8-9,11H,1,3,6-7,10,20H2,(H,21,23);4-7H,18H2,1-3H3;6-9H,5H2,1-4H3;2-5H,15H2,1H3.
What are the key properties of 3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile;6-amino-N-phenyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;1-(5-ethyl-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)ethanone;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine?
3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile;6-amino-N-phenyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;1-(5-ethyl-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)ethanone;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 1985.51 g/mol, XLogP of 27.12, 12 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile;6-amino-N-phenyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;1-(5-ethyl-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)ethanone;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 159427184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159427184 — identifiers, structure, computed properties (public domain)
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