1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone;methyl 3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

C82H55F15N14O7S5 — CID 167554466

About 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone;methyl 3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone;methyl 3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 167554466) has the molecular formula C82H55F15N14O7S5 and a molecular weight of 1793.74 g/mol. Its IUPAC name is 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone;methyl 3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone;methyl 3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
• PubChem CID: 167554466
• Molecular Formula: C82H55F15N14O7S5
• Molecular Weight: 1793.74 g/mol
• Exact Mass: 1792.27
• IUPAC Name: 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone;methyl 3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
• SMILES: CC(=O)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N.CC(=O)c1sc2nc(-c3cccnc3)cc(C(F)F)c2c1N.COC(=O)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N.COc1cccc(-c2cc(C(F)(F)F)c3c(N)c(C(C)=O)sc3n2)c1.Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3cccnc3)cc(C(F)(F)F)c12
• InChI: InChI=1S/C20H11F4N3OS.C17H13F3N2O2S.C15H10F3N3O2S.C15H10F3N3OS.C15H11F2N3OS/c21-12-5-3-10(4-6-12)17(28)18-16(25)15-13(20(22,23)24)8-14(27-19(15)29-18)11-2-1-7-26-9-11;1-8(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;1-23-14(22)12-11(19)10-8(15(16,17)18)5-9(21-13(10)24-12)7-3-2-4-20-6-7;1-7(22)13-12(19)11-9(15(16,17)18)5-10(21-14(11)23-13)8-3-2-4-20-6-8;1-7(21)13-12(18)11-9(14(16)17)5-10(20-15(11)22-13)8-3-2-4-19-6-8/h1-9H,25H2;3-7H,21H2,1-2H3;2-6H,19H2,1H3;2-6H,19H2,1H3;2-6,14H,18H2,1H3
• InChIKey: CVEVEFWUKRYONT-UHFFFAOYSA-N
• XLogP: 22.09
• TPSA: 349.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 13
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1793.74
LogP ≤ 5	22.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone;methyl 3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?

The IUPAC name of 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone;methyl 3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate (CID 167554466) is 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone;methyl 3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate.

What is the SMILES notation for 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone;methyl 3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?

The canonical SMILES for 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone;methyl 3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate is CC(=O)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N.CC(=O)c1sc2nc(-c3cccnc3)cc(C(F)F)c2c1N.COC(=O)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N.COc1cccc(-c2cc(C(F)(F)F)c3c(N)c(C(C)=O)sc3n2)c1.Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3cccnc3)cc(C(F)(F)F)c12.

What is the InChIKey of 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone;methyl 3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?

The InChIKey is CVEVEFWUKRYONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F4N3OS.C17H13F3N2O2S.C15H10F3N3O2S.C15H10F3N3OS.C15H11F2N3OS/c21-12-5-3-10(4-6-12)17(28)18-16(25)15-13(20(22,23)24)8-14(27-19(15)29-18)11-2-1-7-26-9-11;1-8(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;1-23-14(22)12-11(19)10-8(15(16,17)18)5-9(21-13(10)24-12)7-3-2-4-20-6-7;1-7(22)13-12(19)11-9(15(16,17)18)5-10(21-14(11)23-13)8-3-2-4-20-6-8;1-7(21)13-12(18)11-9(14(16)17)5-10(20-15(11)22-13)8-3-2-4-19-6-8/h1-9H,25H2;3-7H,21H2,1-2H3;2-6H,19H2,1H3;2-6H,19H2,1H3;2-6,14H,18H2,1H3.

What are the key properties of 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone;methyl 3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?

1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone;methyl 3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 1793.74 g/mol, XLogP of 22.09, 13 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-4-(difluoromethyl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone;methyl 3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 167554466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).