2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

C101H107F3N10O10S5 — CID 157289187

About 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 157289187) has the molecular formula C101H107F3N10O10S5 and a molecular weight of 1838.36 g/mol. Its IUPAC name is 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
• PubChem CID: 157289187
• Molecular Formula: C101H107F3N10O10S5
• Molecular Weight: 1838.36 g/mol
• Exact Mass: 1836.67
• IUPAC Name: 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
• SMILES: CCc1c(C)nc2sc(C(=O)OC(C)(C)C)c(-c3ccc(OC)cc3)c2c1C.CCc1c(C)nc2sc(C(=O)OC(C)(C)C)c(-c3ccc4c(c3)OCO4)c2c1C.CCc1c(C)nc2sc(C(=O)OC(C)(C)C)c(-c3cccc(C#N)c3)c2c1C.CCc1c(C)nc2sc(N)c(C#N)c2c1C.Nc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2nc3c(cc12)CCCCC3
• InChI: InChI=1S/C23H24N2O2S.C23H25NO4S.C23H27NO3S.C20H18F3N3OS.C12H13N3S/c1-7-17-13(2)18-19(16-10-8-9-15(11-16)12-24)20(22(26)27-23(4,5)6)28-21(18)25-14(17)3;1-7-15-12(2)18-19(14-8-9-16-17(10-14)27-11-26-16)20(22(25)28-23(4,5)6)29-21(18)24-13(15)3;1-8-17-13(2)18-19(15-9-11-16(26-7)12-10-15)20(22(25)27-23(4,5)6)28-21(18)24-14(17)3;21-20(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;1-4-8-6(2)10-9(5-13)11(14)16-12(10)15-7(8)3/h8-11H,7H2,1-6H3;8-10H,7,11H2,1-6H3;9-12H,8H2,1-7H3;6-10H,1-5,24H2,(H,25,27);4,14H2,1-3H3
• InChIKey: BAPDZHQBPGEVNF-UHFFFAOYSA-N
• XLogP: 26.25
• TPSA: 299.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1838.36
LogP ≤ 5	26.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?

The IUPAC name of 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (CID 157289187) is 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.

What is the SMILES notation for 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?

The canonical SMILES for 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is CCc1c(C)nc2sc(C(=O)OC(C)(C)C)c(-c3ccc(OC)cc3)c2c1C.CCc1c(C)nc2sc(C(=O)OC(C)(C)C)c(-c3ccc4c(c3)OCO4)c2c1C.CCc1c(C)nc2sc(C(=O)OC(C)(C)C)c(-c3cccc(C#N)c3)c2c1C.CCc1c(C)nc2sc(N)c(C#N)c2c1C.Nc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2nc3c(cc12)CCCCC3.

What is the InChIKey of 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?

The InChIKey is BAPDZHQBPGEVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S.C23H25NO4S.C23H27NO3S.C20H18F3N3OS.C12H13N3S/c1-7-17-13(2)18-19(16-10-8-9-15(11-16)12-24)20(22(26)27-23(4,5)6)28-21(18)25-14(17)3;1-7-15-12(2)18-19(14-8-9-16-17(10-14)27-11-26-16)20(22(25)28-23(4,5)6)29-21(18)24-13(15)3;1-8-17-13(2)18-19(15-9-11-16(26-7)12-10-15)20(22(25)27-23(4,5)6)28-21(18)24-14(17)3;21-20(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;1-4-8-6(2)10-9(5-13)11(14)16-12(10)15-7(8)3/h8-11H,7H2,1-6H3;8-10H,7,11H2,1-6H3;9-12H,8H2,1-7H3;6-10H,1-5,24H2,(H,25,27);4,14H2,1-3H3.

What are the key properties of 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?

2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 1838.36 g/mol, XLogP of 26.25, 13 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;6-amino-N-[4-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide;tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 157289187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).