Sodium;2-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid;2-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate;methyl 3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
C182H145F10N12NaO33S7 — CID 158067884
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACsodium;2-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid;2-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate;methyl 3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)c2s1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)NCC(=O)O)sc34)cc2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)NCC(=O)O)sc34)cc2F)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)NCCC(=O)O)sc34)cc2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)NCCC(=O)O)sc34)cc2F)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)O)sc34)cc2F)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)[O-])sc34)cc2)c1.[Na+]
InChIInChI=1S/C28H25FN2O5S.C27H22F2N2O5S.C27H23FN2O5S.C26H20F2N2O5S.C26H21FN2O5S.C24H17F2NO4S.C24H18FNO4S.Na/c1-17-3-8-22(29)19(13-17)15-20(32)14-18-4-6-21(7-5-18)36-24-9-11-30-23-16-25(37-27(23)24)28(34)31-12-10-26(33)35-2;1-15-2-5-20(28)17(10-15)12-18(32)11-16-3-4-19(13-21(16)29)36-23-6-8-30-22-14-24(37-26(22)23)27(35)31-9-7-25(33)34;1-16-2-7-21(28)18(12-16)14-19(31)13-17-3-5-20(6-4-17)35-23-8-10-29-22-15-24(36-26(22)23)27(34)30-11-9-25(32)33;1-14-2-5-19(27)16(8-14)10-17(31)9-15-3-4-18(11-20(15)28)35-22-6-7-29-21-12-23(36-25(21)22)26(34)30-13-24(32)33;1-15-2-7-20(27)17(10-15)12-18(30)11-16-3-5-19(6-4-16)34-22-8-9-28-21-13-23(35-25(21)22)26(33)29-14-24(31)32;1-13-2-5-18(25)15(8-13)10-16(28)9-14-3-4-17(11-19(14)26)31-21-6-7-27-20-12-22(24(29)30)32-23(20)21;1-14-2-7-19(25)16(10-14)12-17(27)11-15-3-5-18(6-4-15)30-21-8-9-26-20-13-22(24(28)29)31-23(20)21;/h3-9,11,13,16H,10,12,14-15H2,1-2H3,(H,31,34);2-6,8,10,13-14H,7,9,11-12H2,1H3,(H,31,35)(H,33,34);2-8,10,12,15H,9,11,13-14H2,1H3,(H,30,34)(H,32,33);2-8,11-12H,9-10,13H2,1H3,(H,30,34)(H,32,33);2-10,13H,11-12,14H2,1H3,(H,29,33)(H,31,32);2-8,11-12H,9-10H2,1H3,(H,29,30);2-10,13H,11-12H2,1H3,(H,28,29);/q;;;;;;;+1/p-1
InChIKeyFLLOEVVXDLRHRY-UHFFFAOYSA-M
MW3465.65 g/mol
LogP32.05
Rot. Bonds62
About Sodium;2-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid;2-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate;methyl 3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
Sodium;2-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid;2-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate;methyl 3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate (PubChem CID 158067884) has the molecular formula C182H145F10N12NaO33S7 and a molecular weight of 3465.65 g/mol. Its IUPAC name is sodium;2-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid;2-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate;methyl 3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate.
Molecular Properties
| Compound Name | Sodium;2-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid;2-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate;methyl 3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate |
|---|---|
| PubChem CID | 158067884 |
| Molecular Formula | C182H145F10N12NaO33S7 |
| Molecular Weight | 3465.65 g/mol |
| Exact Mass | 3462.78 |
| IUPAC Name | sodium;2-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid;2-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate;methyl 3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate |
| SMILES | COC(=O)CCNC(=O)c1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)c2s1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)NCC(=O)O)sc34)cc2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)NCC(=O)O)sc34)cc2F)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)NCCC(=O)O)sc34)cc2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)NCCC(=O)O)sc34)cc2F)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)O)sc34)cc2F)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)[O-])sc34)cc2)c1.[Na+] |
| InChI | InChI=1S/C28H25FN2O5S.C27H22F2N2O5S.C27H23FN2O5S.C26H20F2N2O5S.C26H21FN2O5S.C24H17F2NO4S.C24H18FNO4S.Na/c1-17-3-8-22(29)19(13-17)15-20(32)14-18-4-6-21(7-5-18)36-24-9-11-30-23-16-25(37-27(23)24)28(34)31-12-10-26(33)35-2;1-15-2-5-20(28)17(10-15)12-18(32)11-16-3-4-19(13-21(16)29)36-23-6-8-30-22-14-24(37-26(22)23)27(35)31-9-7-25(33)34;1-16-2-7-21(28)18(12-16)14-19(31)13-17-3-5-20(6-4-17)35-23-8-10-29-22-15-24(36-26(22)23)27(34)30-11-9-25(32)33;1-14-2-5-19(27)16(8-14)10-17(31)9-15-3-4-18(11-20(15)28)35-22-6-7-29-21-12-23(36-25(21)22)26(34)30-13-24(32)33;1-15-2-7-20(27)17(10-15)12-18(30)11-16-3-5-19(6-4-16)34-22-8-9-28-21-13-23(35-25(21)22)26(33)29-14-24(31)32;1-13-2-5-18(25)15(8-13)10-16(28)9-14-3-4-17(11-19(14)26)31-21-6-7-27-20-12-22(24(29)30)32-23(20)21;1-14-2-7-19(25)16(10-14)12-17(27)11-15-3-5-18(6-4-15)30-21-8-9-26-20-13-22(24(28)29)31-23(20)21;/h3-9,11,13,16H,10,12,14-15H2,1-2H3,(H,31,34);2-6,8,10,13-14H,7,9,11-12H2,1H3,(H,31,35)(H,33,34);2-8,10,12,15H,9,11,13-14H2,1H3,(H,30,34)(H,32,33);2-8,11-12H,9-10,13H2,1H3,(H,30,34)(H,32,33);2-10,13H,11-12,14H2,1H3,(H,29,33)(H,31,32);2-8,11-12H,9-10H2,1H3,(H,29,30);2-10,13H,11-12H2,1H3,(H,28,29);/q;;;;;;;+1/p-1 |
| InChIKey | FLLOEVVXDLRHRY-UHFFFAOYSA-M |
| XLogP | 32.05 |
| TPSA | 672.76 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 62 |
| Heavy Atoms | 245 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3465.65 |
| LogP ≤ 5 | 32.05 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 42 |
Frequently Asked Questions
What is the IUPAC name of Sodium;2-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid;2-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate;methyl 3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
The IUPAC name of Sodium;2-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid;2-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate;methyl 3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate (CID 158067884) is sodium;2-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid;2-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate;methyl 3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate.
What is the SMILES notation for Sodium;2-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid;2-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate;methyl 3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
The canonical SMILES for Sodium;2-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid;2-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate;methyl 3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate is COC(=O)CCNC(=O)c1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)c2s1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)NCC(=O)O)sc34)cc2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)NCC(=O)O)sc34)cc2F)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)NCCC(=O)O)sc34)cc2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)NCCC(=O)O)sc34)cc2F)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)O)sc34)cc2F)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)[O-])sc34)cc2)c1.[Na+].
What is the InChIKey of Sodium;2-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid;2-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate;methyl 3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
The InChIKey is FLLOEVVXDLRHRY-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H25FN2O5S.C27H22F2N2O5S.C27H23FN2O5S.C26H20F2N2O5S.C26H21FN2O5S.C24H17F2NO4S.C24H18FNO4S.Na/c1-17-3-8-22(29)19(13-17)15-20(32)14-18-4-6-21(7-5-18)36-24-9-11-30-23-16-25(37-27(23)24)28(34)31-12-10-26(33)35-2;1-15-2-5-20(28)17(10-15)12-18(32)11-16-3-4-19(13-21(16)29)36-23-6-8-30-22-14-24(37-26(22)23)27(35)31-9-7-25(33)34;1-16-2-7-21(28)18(12-16)14-19(31)13-17-3-5-20(6-4-17)35-23-8-10-29-22-15-24(36-26(22)23)27(34)30-11-9-25(32)33;1-14-2-5-19(27)16(8-14)10-17(31)9-15-3-4-18(11-20(15)28)35-22-6-7-29-21-12-23(36-25(21)22)26(34)30-13-24(32)33;1-15-2-7-20(27)17(10-15)12-18(30)11-16-3-5-19(6-4-16)34-22-8-9-28-21-13-23(35-25(21)22)26(33)29-14-24(31)32;1-13-2-5-18(25)15(8-13)10-16(28)9-14-3-4-17(11-19(14)26)31-21-6-7-27-20-12-22(24(29)30)32-23(20)21;1-14-2-7-19(25)16(10-14)12-17(27)11-15-3-5-18(6-4-15)30-21-8-9-26-20-13-22(24(28)29)31-23(20)21;/h3-9,11,13,16H,10,12,14-15H2,1-2H3,(H,31,34);2-6,8,10,13-14H,7,9,11-12H2,1H3,(H,31,35)(H,33,34);2-8,10,12,15H,9,11,13-14H2,1H3,(H,30,34)(H,32,33);2-8,11-12H,9-10,13H2,1H3,(H,30,34)(H,32,33);2-10,13H,11-12,14H2,1H3,(H,29,33)(H,31,32);2-8,11-12H,9-10H2,1H3,(H,29,30);2-10,13H,11-12H2,1H3,(H,28,29);/q;;;;;;;+1/p-1.
What are the key properties of Sodium;2-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid;2-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate;methyl 3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
Sodium;2-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid;2-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate;methyl 3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate has a molecular weight of 3465.65 g/mol, XLogP of 32.05, 62 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium;2-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid;2-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid;3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate;methyl 3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 158067884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158067884 — identifiers, structure, computed properties (public domain)
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