1-[3-amino-4-(difluoromethyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(4-ethylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;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

C105H80F15N15O9S6 — CID 167566110

About 1-[3-amino-4-(difluoromethyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(4-ethylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;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

1-[3-amino-4-(difluoromethyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(4-ethylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;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 (PubChem CID 167566110) has the molecular formula C105H80F15N15O9S6 and a molecular weight of 2173.26 g/mol. Its IUPAC name is 1-[3-amino-4-(difluoromethyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(4-ethylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;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.

Molecular Properties

• Compound Name: 1-[3-amino-4-(difluoromethyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(4-ethylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;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
• PubChem CID: 167566110
• Molecular Formula: C105H80F15N15O9S6
• Molecular Weight: 2173.26 g/mol
• Exact Mass: 2171.43
• IUPAC Name: 1-[3-amino-4-(difluoromethyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(4-ethylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;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
• SMILES: CC(=O)c1sc2nc(-c3ccc4c(c3)OCCO4)cc(C(F)(F)F)c2c1N.CC(=O)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N.CC(C)(C)C(=O)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N.CCc1ccc(-c2ccc3c(N)c(C(C)=O)sc3n2)cc1.COc1ccc(-c2cc(C(F)F)c3c(N)c(C(C)=O)sc3n2)cc1.Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3cccnc3)cc(C(F)(F)F)c12
• InChI: InChI=1S/C20H11F4N3OS.C18H16F3N3OS.C18H13F3N2O3S.C17H14F2N2O2S.C17H16N2OS.C15H10F3N3OS/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;1-17(2,3)15(25)14-13(22)12-10(18(19,20)21)7-11(24-16(12)26-14)9-5-4-6-23-8-9;1-8(24)16-15(22)14-10(18(19,20)21)7-11(23-17(14)27-16)9-2-3-12-13(6-9)26-5-4-25-12;1-8(22)15-14(20)13-11(16(18)19)7-12(21-17(13)24-15)9-3-5-10(23-2)6-4-9;1-3-11-4-6-12(7-5-11)14-9-8-13-15(18)16(10(2)20)21-17(13)19-14;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/h1-9H,25H2;4-8H,22H2,1-3H3;2-3,6-7H,4-5,22H2,1H3;3-7,16H,20H2,1-2H3;4-9H,3,18H2,1-2H3;2-6H,19H2,1H3
• InChIKey: FHOJFTXMPOGPMM-UHFFFAOYSA-N
• XLogP: 28.22
• TPSA: 402.24 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 16
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2173.26
LogP ≤ 5	28.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(difluoromethyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(4-ethylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;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?

The IUPAC name of 1-[3-amino-4-(difluoromethyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(4-ethylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;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 (CID 167566110) is 1-[3-amino-4-(difluoromethyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(4-ethylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;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.

What is the SMILES notation for 1-[3-amino-4-(difluoromethyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(4-ethylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;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?

The canonical SMILES for 1-[3-amino-4-(difluoromethyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(4-ethylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;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 is CC(=O)c1sc2nc(-c3ccc4c(c3)OCCO4)cc(C(F)(F)F)c2c1N.CC(=O)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N.CC(C)(C)C(=O)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N.CCc1ccc(-c2ccc3c(N)c(C(C)=O)sc3n2)cc1.COc1ccc(-c2cc(C(F)F)c3c(N)c(C(C)=O)sc3n2)cc1.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-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(4-ethylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;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?

The InChIKey is FHOJFTXMPOGPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F4N3OS.C18H16F3N3OS.C18H13F3N2O3S.C17H14F2N2O2S.C17H16N2OS.C15H10F3N3OS/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;1-17(2,3)15(25)14-13(22)12-10(18(19,20)21)7-11(24-16(12)26-14)9-5-4-6-23-8-9;1-8(24)16-15(22)14-10(18(19,20)21)7-11(23-17(14)27-16)9-2-3-12-13(6-9)26-5-4-25-12;1-8(22)15-14(20)13-11(16(18)19)7-12(21-17(13)24-15)9-3-5-10(23-2)6-4-9;1-3-11-4-6-12(7-5-11)14-9-8-13-15(18)16(10(2)20)21-17(13)19-14;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/h1-9H,25H2;4-8H,22H2,1-3H3;2-3,6-7H,4-5,22H2,1H3;3-7,16H,20H2,1-2H3;4-9H,3,18H2,1-2H3;2-6H,19H2,1H3.

What are the key properties of 1-[3-amino-4-(difluoromethyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(4-ethylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;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?

1-[3-amino-4-(difluoromethyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(4-ethylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;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 has a molecular weight of 2173.26 g/mol, XLogP of 28.22, 16 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-4-(difluoromethyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-(4-ethylphenyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;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 is sourced from PubChem (CID 167566110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).