(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone;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;2-prop-1-en-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
C87H60F13N13O7S6 — CID 167636375
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone;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;2-prop-1-en-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
SMILESC=C(C)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N.CC(=O)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N.COC(=O)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N.COc1ccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1OC.Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3cccnc3)cc(C(F)(F)F)c12
InChIInChI=1S/C22H18N2O3S.C20H11F4N3OS.C15H10F3N3O2S.C15H10F3N3OS.C15H11F3N2S2/c1-26-17-11-8-14(12-18(17)27-2)20(25)21-19(23)15-9-10-16(24-22(15)28-21)13-6-4-3-5-7-13;21-12-5-3-10(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;1-23-14(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(2)13-12(19)11-8(15(16,17)18)6-9(20-14(11)22-13)10-4-3-5-21-10/h3-12H,23H2,1-2H3;1-9H,25H2;2-6H,19H2,1H3;2-6H,19H2,1H3;3-6H,1,19H2,2H3
InChIKeyONOJYGKENMWOIN-UHFFFAOYSA-N
MW1838.90 g/mol
LogP23.69
Rot. Bonds14
About (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone;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;2-prop-1-en-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone;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;2-prop-1-en-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine (PubChem CID 167636375) has the molecular formula C87H60F13N13O7S6 and a molecular weight of 1838.90 g/mol. Its IUPAC name is (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone;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;2-prop-1-en-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine.
Molecular Properties
| Compound Name | (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone;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;2-prop-1-en-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine |
|---|---|
| PubChem CID | 167636375 |
| Molecular Formula | C87H60F13N13O7S6 |
| Molecular Weight | 1838.90 g/mol |
| Exact Mass | 1837.29 |
| IUPAC Name | (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone;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;2-prop-1-en-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine |
| SMILES | C=C(C)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N.CC(=O)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N.COC(=O)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N.COc1ccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1OC.Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3cccnc3)cc(C(F)(F)F)c12 |
| InChI | InChI=1S/C22H18N2O3S.C20H11F4N3OS.C15H10F3N3O2S.C15H10F3N3OS.C15H11F3N2S2/c1-26-17-11-8-14(12-18(17)27-2)20(25)21-19(23)15-9-10-16(24-22(15)28-21)13-6-4-3-5-7-13;21-12-5-3-10(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;1-23-14(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(2)13-12(19)11-8(15(16,17)18)6-9(20-14(11)22-13)10-4-3-5-21-10/h3-12H,23H2,1-2H3;1-9H,25H2;2-6H,19H2,1H3;2-6H,19H2,1H3;3-6H,1,19H2,2H3 |
| InChIKey | ONOJYGKENMWOIN-UHFFFAOYSA-N |
| XLogP | 23.69 |
| TPSA | 329.19 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 126 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1838.90 |
| LogP ≤ 5 | 23.69 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 26 |
Frequently Asked Questions
What is the IUPAC name of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone;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;2-prop-1-en-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone;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;2-prop-1-en-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine (CID 167636375) is (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone;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;2-prop-1-en-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone;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;2-prop-1-en-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone;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;2-prop-1-en-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine is C=C(C)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N.CC(=O)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N.COC(=O)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N.COc1ccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1OC.Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3cccnc3)cc(C(F)(F)F)c12.
What is the InChIKey of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone;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;2-prop-1-en-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is ONOJYGKENMWOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S.C20H11F4N3OS.C15H10F3N3O2S.C15H10F3N3OS.C15H11F3N2S2/c1-26-17-11-8-14(12-18(17)27-2)20(25)21-19(23)15-9-10-16(24-22(15)28-21)13-6-4-3-5-7-13;21-12-5-3-10(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;1-23-14(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(2)13-12(19)11-8(15(16,17)18)6-9(20-14(11)22-13)10-4-3-5-21-10/h3-12H,23H2,1-2H3;1-9H,25H2;2-6H,19H2,1H3;2-6H,19H2,1H3;3-6H,1,19H2,2H3.
What are the key properties of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone;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;2-prop-1-en-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone;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;2-prop-1-en-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 1838.90 g/mol, XLogP of 23.69, 14 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone;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;2-prop-1-en-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 167636375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 167636375 — identifiers, structure, computed properties (public domain)
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