1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;4,6-dimethyl-2-pyridin-4-ylthieno[2,3-b]pyridin-3-amine;6-(2-fluoro-4-methylphenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;6-(2-fluorophenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;2-isocyano-6-phenylthieno[2,3-b]pyridin-3-amine;2-isocyano-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine;methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate;6-methyl-2-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

C117H80F14N22O4S9 — CID 167587277

About 1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;4,6-dimethyl-2-pyridin-4-ylthieno[2,3-b]pyridin-3-amine;6-(2-fluoro-4-methylphenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;6-(2-fluorophenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;2-isocyano-6-phenylthieno[2,3-b]pyridin-3-amine;2-isocyano-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine;methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate;6-methyl-2-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;4,6-dimethyl-2-pyridin-4-ylthieno[2,3-b]pyridin-3-amine;6-(2-fluoro-4-methylphenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;6-(2-fluorophenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;2-isocyano-6-phenylthieno[2,3-b]pyridin-3-amine;2-isocyano-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine;methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate;6-methyl-2-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine (PubChem CID 167587277) has the molecular formula C117H80F14N22O4S9 and a molecular weight of 2412.65 g/mol. Its IUPAC name is 1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;4,6-dimethyl-2-pyridin-4-ylthieno[2,3-b]pyridin-3-amine;6-(2-fluoro-4-methylphenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;6-(2-fluorophenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;2-isocyano-6-phenylthieno[2,3-b]pyridin-3-amine;2-isocyano-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine;methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate;6-methyl-2-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;4,6-dimethyl-2-pyridin-4-ylthieno[2,3-b]pyridin-3-amine;6-(2-fluoro-4-methylphenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;6-(2-fluorophenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;2-isocyano-6-phenylthieno[2,3-b]pyridin-3-amine;2-isocyano-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine;methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate;6-methyl-2-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
• PubChem CID: 167587277
• Molecular Formula: C117H80F14N22O4S9
• Molecular Weight: 2412.65 g/mol
• Exact Mass: 2410.40
• IUPAC Name: 1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;4,6-dimethyl-2-pyridin-4-ylthieno[2,3-b]pyridin-3-amine;6-(2-fluoro-4-methylphenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;6-(2-fluorophenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;2-isocyano-6-phenylthieno[2,3-b]pyridin-3-amine;2-isocyano-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine;methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate;6-methyl-2-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
• SMILES: COC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N.COc1cccc(-c2cc(C(F)(F)F)c3c(N)c(C(C)=O)sc3n2)c1.Cc1cc(C(F)(F)F)c2c(N)c(-c3ccncc3)sc2n1.Cc1cc(C)c2c(N)c(-c3ccncc3)sc2n1.[C-]#[N+]c1sc2nc(-c3ccc(C)cc3F)ccc2c1N.[C-]#[N+]c1sc2nc(-c3ccccc3)ccc2c1N.[C-]#[N+]c1sc2nc(-c3ccccc3F)ccc2c1N.[C-]#[N+]c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N
• InChI: InChI=1S/C17H13F3N2O2S.C16H11F3N2O2S.C15H10FN3S.C14H10F3N3S.C14H8FN3S.C14H13N3S.C14H9N3S.C13H6F3N3S2/c1-8(23)15-14(21)13-11(17(18,19)20)7-12(22-16(13)25-15)9-4-3-5-10(6-9)24-2;1-23-15(22)13-12(20)11-9(16(17,18)19)7-10(21-14(11)24-13)8-5-3-2-4-6-8;1-8-3-4-9(11(16)7-8)12-6-5-10-13(17)15(18-2)20-14(10)19-12;1-7-6-9(14(15,16)17)10-11(18)12(21-13(10)20-7)8-2-4-19-5-3-8;1-17-14-12(16)9-6-7-11(18-13(9)19-14)8-4-2-3-5-10(8)15;1-8-7-9(2)17-14-11(8)12(15)13(18-14)10-3-5-16-6-4-10;1-16-14-12(15)10-7-8-11(17-13(10)18-14)9-5-3-2-4-6-9;1-18-12-10(17)9-6(13(14,15)16)5-7(19-11(9)21-12)8-3-2-4-20-8/h3-7H,21H2,1-2H3;2-7H,20H2,1H3;3-7H,17H2,1H3;2-6H,18H2,1H3;2-7H,16H2;3-7H,15H2,1-2H3;2-8H,15H2;2-5H,17H2
• InChIKey: HYROXGHMUWFZLR-UHFFFAOYSA-N
• XLogP: 35.00
• TPSA: 407.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 11
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2412.65
LogP ≤ 5	35.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;4,6-dimethyl-2-pyridin-4-ylthieno[2,3-b]pyridin-3-amine;6-(2-fluoro-4-methylphenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;6-(2-fluorophenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;2-isocyano-6-phenylthieno[2,3-b]pyridin-3-amine;2-isocyano-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine;methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate;6-methyl-2-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?

The IUPAC name of 1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;4,6-dimethyl-2-pyridin-4-ylthieno[2,3-b]pyridin-3-amine;6-(2-fluoro-4-methylphenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;6-(2-fluorophenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;2-isocyano-6-phenylthieno[2,3-b]pyridin-3-amine;2-isocyano-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine;methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate;6-methyl-2-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine (CID 167587277) is 1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;4,6-dimethyl-2-pyridin-4-ylthieno[2,3-b]pyridin-3-amine;6-(2-fluoro-4-methylphenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;6-(2-fluorophenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;2-isocyano-6-phenylthieno[2,3-b]pyridin-3-amine;2-isocyano-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine;methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate;6-methyl-2-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for 1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;4,6-dimethyl-2-pyridin-4-ylthieno[2,3-b]pyridin-3-amine;6-(2-fluoro-4-methylphenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;6-(2-fluorophenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;2-isocyano-6-phenylthieno[2,3-b]pyridin-3-amine;2-isocyano-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine;methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate;6-methyl-2-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;4,6-dimethyl-2-pyridin-4-ylthieno[2,3-b]pyridin-3-amine;6-(2-fluoro-4-methylphenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;6-(2-fluorophenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;2-isocyano-6-phenylthieno[2,3-b]pyridin-3-amine;2-isocyano-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine;methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate;6-methyl-2-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine is COC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N.COc1cccc(-c2cc(C(F)(F)F)c3c(N)c(C(C)=O)sc3n2)c1.Cc1cc(C(F)(F)F)c2c(N)c(-c3ccncc3)sc2n1.Cc1cc(C)c2c(N)c(-c3ccncc3)sc2n1.[C-]#[N+]c1sc2nc(-c3ccc(C)cc3F)ccc2c1N.[C-]#[N+]c1sc2nc(-c3ccccc3)ccc2c1N.[C-]#[N+]c1sc2nc(-c3ccccc3F)ccc2c1N.[C-]#[N+]c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N.

What is the InChIKey of 1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;4,6-dimethyl-2-pyridin-4-ylthieno[2,3-b]pyridin-3-amine;6-(2-fluoro-4-methylphenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;6-(2-fluorophenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;2-isocyano-6-phenylthieno[2,3-b]pyridin-3-amine;2-isocyano-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine;methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate;6-methyl-2-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?

The InChIKey is HYROXGHMUWFZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S.C16H11F3N2O2S.C15H10FN3S.C14H10F3N3S.C14H8FN3S.C14H13N3S.C14H9N3S.C13H6F3N3S2/c1-8(23)15-14(21)13-11(17(18,19)20)7-12(22-16(13)25-15)9-4-3-5-10(6-9)24-2;1-23-15(22)13-12(20)11-9(16(17,18)19)7-10(21-14(11)24-13)8-5-3-2-4-6-8;1-8-3-4-9(11(16)7-8)12-6-5-10-13(17)15(18-2)20-14(10)19-12;1-7-6-9(14(15,16)17)10-11(18)12(21-13(10)20-7)8-2-4-19-5-3-8;1-17-14-12(16)9-6-7-11(18-13(9)19-14)8-4-2-3-5-10(8)15;1-8-7-9(2)17-14-11(8)12(15)13(18-14)10-3-5-16-6-4-10;1-16-14-12(15)10-7-8-11(17-13(10)18-14)9-5-3-2-4-6-9;1-18-12-10(17)9-6(13(14,15)16)5-7(19-11(9)21-12)8-3-2-4-20-8/h3-7H,21H2,1-2H3;2-7H,20H2,1H3;3-7H,17H2,1H3;2-6H,18H2,1H3;2-7H,16H2;3-7H,15H2,1-2H3;2-8H,15H2;2-5H,17H2.

What are the key properties of 1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;4,6-dimethyl-2-pyridin-4-ylthieno[2,3-b]pyridin-3-amine;6-(2-fluoro-4-methylphenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;6-(2-fluorophenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;2-isocyano-6-phenylthieno[2,3-b]pyridin-3-amine;2-isocyano-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine;methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate;6-methyl-2-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?

1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;4,6-dimethyl-2-pyridin-4-ylthieno[2,3-b]pyridin-3-amine;6-(2-fluoro-4-methylphenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;6-(2-fluorophenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;2-isocyano-6-phenylthieno[2,3-b]pyridin-3-amine;2-isocyano-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine;methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate;6-methyl-2-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 2412.65 g/mol, XLogP of 35.00, 11 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;4,6-dimethyl-2-pyridin-4-ylthieno[2,3-b]pyridin-3-amine;6-(2-fluoro-4-methylphenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;6-(2-fluorophenyl)-2-isocyanothieno[2,3-b]pyridin-3-amine;2-isocyano-6-phenylthieno[2,3-b]pyridin-3-amine;2-isocyano-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine;methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate;6-methyl-2-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 167587277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).