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

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 Namesodium;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 CID158067884
Molecular FormulaC182H145F10N12NaO33S7
Molecular Weight3465.65 g/mol
Exact Mass3462.78
IUPAC Namesodium;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
XLogP32.05
TPSA672.76 Ų
H-Bond Donors10
H-Bond Acceptors42
Rotatable Bonds62
Heavy Atoms245
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003465.65
LogP ≤ 532.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1042

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

2-[[7-[4-[3-(2-Fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid
CID 58172936
3-[[7-[3-Fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
CID 58172937
4-[[7-[3-Fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]butanoic acid
CID 58172949
2-[[7-[3-Fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid
CID 58172951
Ethyl 2-[4-[2-[4-[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]piperazin-1-yl]acetyl]piperazin-1-yl]acetate
CID 147193198
Ethyl 2-[4-[3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propyl]piperazin-1-yl]acetate
CID 147488694
(2S)-2-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 148085018
1-[3-[[7-[3-Fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propyl]pyrrolidine-3-carboxylic acid
CID 148537074
1-(3,5-dimethyl-2H-pyrrol-4-yl)-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[6-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 157385571
1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[2-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one
CID 157872970
tert-butyl N-[[6-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;ethanol;methyl carbonochloridate;2,2,2-trifluoroethyl 2-[3-fluoro-4-[2-[5-[[(2-methylpropan-2-yl)oxycarbonyl-propylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetate;2,2,2-trifluoroethyl 2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetate
CID 159076983
1-Cyclopropyl-3-[3-fluoro-4-[2-[6-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[6-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propane-2-thione
CID 160205962

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).