5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid;5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]benzoic acid;2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-chloro-2-[(6-quinolin-5-yl-3-pyridinyl)amino]benzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;ethyl 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoate;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;ethyl 5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid

C213H172Cl6F13N23O22 — CID 173080584

IUPAC5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid;5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]benzoic acid;2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-chloro-2-[(6-quinolin-5-yl-3-pyridinyl)amino]benzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;ethyl 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoate;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;ethyl 5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid
SMILESCCOC(=O)c1cc(C2CC2)ccc1Nc1ccc(-c2ccccc2Cl)nc1.CCOC(=O)c1cc(C2CC2)ccc1Nc1cnc(-c2cccc(OC)c2)c(C(F)(F)F)c1.CCOC(=O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2)c(C(F)(F)F)c1.COc1cccc(-c2ncc(Nc3ccc(C4CC4)cc3C(=O)O)cc2C(F)(F)F)c1.Cc1ccc(Nc2cnc(-c3cnccn3)c(C)c2)c(C(=O)O)c1.O=C(O)c1cc(C2CC2)ccc1Nc1ccc(-c2ccccc2Cl)nc1.O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2)c(C(F)(F)F)c1.O=C(O)c1cc(Cl)ccc1Nc1ccc(-c2cccc3ncccc23)nc1.O=C(O)c1cc(Cl)ccc1Nc1ccc(-c2ccccc2Cl)nc1.O=C(O)c1cc(Cl)ccc1Nc1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C25H23F3N2O3.C24H21F3N2O2.C23H21ClN2O2.C23H19F3N2O3.C22H17F3N2O2.C21H14ClN3O2.C21H17ClN2O2.C18H12Cl2N2O2.C18H12ClFN2O2.C18H16N4O2/c1-3-33-24(31)20-12-16(15-7-8-15)9-10-22(20)30-18-13-21(25(26,27)28)23(29-14-18)17-5-4-6-19(11-17)32-2;1-2-31-23(30)19-12-17(15-8-9-15)10-11-21(19)29-18-13-20(24(25,26)27)22(28-14-18)16-6-4-3-5-7-16;1-2-28-23(27)19-13-16(15-7-8-15)9-11-22(19)26-17-10-12-21(25-14-17)18-5-3-4-6-20(18)24;1-31-17-4-2-3-15(9-17)21-19(23(24,25)26)11-16(12-27-21)28-20-8-7-14(13-5-6-13)10-18(20)22(29)30;23-22(24,25)18-11-16(12-26-20(18)14-4-2-1-3-5-14)27-19-9-8-15(13-6-7-13)10-17(19)21(28)29;22-13-6-8-20(17(11-13)21(26)27)25-14-7-9-19(24-12-14)15-3-1-5-18-16(15)4-2-10-23-18;22-18-4-2-1-3-16(18)19-10-8-15(12-23-19)24-20-9-7-14(13-5-6-13)11-17(20)21(25)26;2*19-11-5-7-17(14(9-11)18(23)24)22-12-6-8-16(21-10-12)13-3-1-2-4-15(13)20;1-11-3-4-15(14(7-11)18(23)24)22-13-8-12(2)17(21-9-13)16-10-19-5-6-20-16/h4-6,9-15,30H,3,7-8H2,1-2H3;3-7,10-15,29H,2,8-9H2,1H3;3-6,9-15,26H,2,7-8H2,1H3;2-4,7-13,28H,5-6H2,1H3,(H,29,30);1-5,8-13,27H,6-7H2,(H,28,29);1-12,25H,(H,26,27);1-4,7-13,24H,5-6H2,(H,25,26);2*1-10,22H,(H,23,24);3-10,22H,1-2H3,(H,23,24)
InChIKeySKVXAQDZLOIGHO-UHFFFAOYSA-N
MW3865.55 g/mol
LogP56.71
Rot. Bonds51

About 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid;5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]benzoic acid;2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-chloro-2-[(6-quinolin-5-yl-3-pyridinyl)amino]benzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;ethyl 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoate;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;ethyl 5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid

5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid;5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]benzoic acid;2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-chloro-2-[(6-quinolin-5-yl-3-pyridinyl)amino]benzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;ethyl 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoate;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;ethyl 5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid (PubChem CID 173080584) has the molecular formula C213H172Cl6F13N23O22 and a molecular weight of 3865.55 g/mol. Its IUPAC name is 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid;5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]benzoic acid;2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-chloro-2-[(6-quinolin-5-yl-3-pyridinyl)amino]benzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;ethyl 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoate;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;ethyl 5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid;5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]benzoic acid;2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-chloro-2-[(6-quinolin-5-yl-3-pyridinyl)amino]benzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;ethyl 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoate;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;ethyl 5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid
PubChem CID173080584
Molecular FormulaC213H172Cl6F13N23O22
Molecular Weight3865.55 g/mol
Exact Mass3860.10
IUPAC Name5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid;5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]benzoic acid;2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-chloro-2-[(6-quinolin-5-yl-3-pyridinyl)amino]benzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;ethyl 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoate;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;ethyl 5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid
SMILESCCOC(=O)c1cc(C2CC2)ccc1Nc1ccc(-c2ccccc2Cl)nc1.CCOC(=O)c1cc(C2CC2)ccc1Nc1cnc(-c2cccc(OC)c2)c(C(F)(F)F)c1.CCOC(=O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2)c(C(F)(F)F)c1.COc1cccc(-c2ncc(Nc3ccc(C4CC4)cc3C(=O)O)cc2C(F)(F)F)c1.Cc1ccc(Nc2cnc(-c3cnccn3)c(C)c2)c(C(=O)O)c1.O=C(O)c1cc(C2CC2)ccc1Nc1ccc(-c2ccccc2Cl)nc1.O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2)c(C(F)(F)F)c1.O=C(O)c1cc(Cl)ccc1Nc1ccc(-c2cccc3ncccc23)nc1.O=C(O)c1cc(Cl)ccc1Nc1ccc(-c2ccccc2Cl)nc1.O=C(O)c1cc(Cl)ccc1Nc1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C25H23F3N2O3.C24H21F3N2O2.C23H21ClN2O2.C23H19F3N2O3.C22H17F3N2O2.C21H14ClN3O2.C21H17ClN2O2.C18H12Cl2N2O2.C18H12ClFN2O2.C18H16N4O2/c1-3-33-24(31)20-12-16(15-7-8-15)9-10-22(20)30-18-13-21(25(26,27)28)23(29-14-18)17-5-4-6-19(11-17)32-2;1-2-31-23(30)19-12-17(15-8-9-15)10-11-21(19)29-18-13-20(24(25,26)27)22(28-14-18)16-6-4-3-5-7-16;1-2-28-23(27)19-13-16(15-7-8-15)9-11-22(19)26-17-10-12-21(25-14-17)18-5-3-4-6-20(18)24;1-31-17-4-2-3-15(9-17)21-19(23(24,25)26)11-16(12-27-21)28-20-8-7-14(13-5-6-13)10-18(20)22(29)30;23-22(24,25)18-11-16(12-26-20(18)14-4-2-1-3-5-14)27-19-9-8-15(13-6-7-13)10-17(19)21(28)29;22-13-6-8-20(17(11-13)21(26)27)25-14-7-9-19(24-12-14)15-3-1-5-18-16(15)4-2-10-23-18;22-18-4-2-1-3-16(18)19-10-8-15(12-23-19)24-20-9-7-14(13-5-6-13)11-17(20)21(25)26;2*19-11-5-7-17(14(9-11)18(23)24)22-12-6-8-16(21-10-12)13-3-1-2-4-15(13)20;1-11-3-4-15(14(7-11)18(23)24)22-13-8-12(2)17(21-9-13)16-10-19-5-6-20-16/h4-6,9-15,30H,3,7-8H2,1-2H3;3-7,10-15,29H,2,8-9H2,1H3;3-6,9-15,26H,2,7-8H2,1H3;2-4,7-13,28H,5-6H2,1H3,(H,29,30);1-5,8-13,27H,6-7H2,(H,28,29);1-12,25H,(H,26,27);1-4,7-13,24H,5-6H2,(H,25,26);2*1-10,22H,(H,23,24);3-10,22H,1-2H3,(H,23,24)
InChIKeySKVXAQDZLOIGHO-UHFFFAOYSA-N
XLogP56.71
TPSA646.33 Ų
H-Bond Donors17
H-Bond Acceptors38
Rotatable Bonds51
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003865.55
LogP ≤ 556.71
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid;5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]benzoic acid;2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-chloro-2-[(6-quinolin-5-yl-3-pyridinyl)amino]benzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;ethyl 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoate;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;ethyl 5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid;5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]benzoic acid;2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-chloro-2-[(6-quinolin-5-yl-3-pyridinyl)amino]benzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;ethyl 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoate;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;ethyl 5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid;5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]benzoic acid;2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-chloro-2-[(6-quinolin-5-yl-3-pyridinyl)amino]benzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;ethyl 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoate;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;ethyl 5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid (CID 173080584) is 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid;5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]benzoic acid;2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-chloro-2-[(6-quinolin-5-yl-3-pyridinyl)amino]benzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;ethyl 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoate;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;ethyl 5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid;5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]benzoic acid;2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-chloro-2-[(6-quinolin-5-yl-3-pyridinyl)amino]benzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;ethyl 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoate;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;ethyl 5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid;5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]benzoic acid;2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-chloro-2-[(6-quinolin-5-yl-3-pyridinyl)amino]benzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;ethyl 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoate;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;ethyl 5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid is CCOC(=O)c1cc(C2CC2)ccc1Nc1ccc(-c2ccccc2Cl)nc1.CCOC(=O)c1cc(C2CC2)ccc1Nc1cnc(-c2cccc(OC)c2)c(C(F)(F)F)c1.CCOC(=O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2)c(C(F)(F)F)c1.COc1cccc(-c2ncc(Nc3ccc(C4CC4)cc3C(=O)O)cc2C(F)(F)F)c1.Cc1ccc(Nc2cnc(-c3cnccn3)c(C)c2)c(C(=O)O)c1.O=C(O)c1cc(C2CC2)ccc1Nc1ccc(-c2ccccc2Cl)nc1.O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2)c(C(F)(F)F)c1.O=C(O)c1cc(Cl)ccc1Nc1ccc(-c2cccc3ncccc23)nc1.O=C(O)c1cc(Cl)ccc1Nc1ccc(-c2ccccc2Cl)nc1.O=C(O)c1cc(Cl)ccc1Nc1ccc(-c2ccccc2F)nc1.
What is the InChIKey of 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid;5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]benzoic acid;2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-chloro-2-[(6-quinolin-5-yl-3-pyridinyl)amino]benzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;ethyl 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoate;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;ethyl 5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid?
The InChIKey is SKVXAQDZLOIGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3.C24H21F3N2O2.C23H21ClN2O2.C23H19F3N2O3.C22H17F3N2O2.C21H14ClN3O2.C21H17ClN2O2.C18H12Cl2N2O2.C18H12ClFN2O2.C18H16N4O2/c1-3-33-24(31)20-12-16(15-7-8-15)9-10-22(20)30-18-13-21(25(26,27)28)23(29-14-18)17-5-4-6-19(11-17)32-2;1-2-31-23(30)19-12-17(15-8-9-15)10-11-21(19)29-18-13-20(24(25,26)27)22(28-14-18)16-6-4-3-5-7-16;1-2-28-23(27)19-13-16(15-7-8-15)9-11-22(19)26-17-10-12-21(25-14-17)18-5-3-4-6-20(18)24;1-31-17-4-2-3-15(9-17)21-19(23(24,25)26)11-16(12-27-21)28-20-8-7-14(13-5-6-13)10-18(20)22(29)30;23-22(24,25)18-11-16(12-26-20(18)14-4-2-1-3-5-14)27-19-9-8-15(13-6-7-13)10-17(19)21(28)29;22-13-6-8-20(17(11-13)21(26)27)25-14-7-9-19(24-12-14)15-3-1-5-18-16(15)4-2-10-23-18;22-18-4-2-1-3-16(18)19-10-8-15(12-23-19)24-20-9-7-14(13-5-6-13)11-17(20)21(25)26;2*19-11-5-7-17(14(9-11)18(23)24)22-12-6-8-16(21-10-12)13-3-1-2-4-15(13)20;1-11-3-4-15(14(7-11)18(23)24)22-13-8-12(2)17(21-9-13)16-10-19-5-6-20-16/h4-6,9-15,30H,3,7-8H2,1-2H3;3-7,10-15,29H,2,8-9H2,1H3;3-6,9-15,26H,2,7-8H2,1H3;2-4,7-13,28H,5-6H2,1H3,(H,29,30);1-5,8-13,27H,6-7H2,(H,28,29);1-12,25H,(H,26,27);1-4,7-13,24H,5-6H2,(H,25,26);2*1-10,22H,(H,23,24);3-10,22H,1-2H3,(H,23,24).
What are the key properties of 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid;5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]benzoic acid;2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-chloro-2-[(6-quinolin-5-yl-3-pyridinyl)amino]benzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;ethyl 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoate;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;ethyl 5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid?
5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid;5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]benzoic acid;2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-chloro-2-[(6-quinolin-5-yl-3-pyridinyl)amino]benzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;ethyl 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoate;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;ethyl 5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid has a molecular weight of 3865.55 g/mol, XLogP of 56.71, 51 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid;5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]benzoic acid;2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-chloro-2-[(6-quinolin-5-yl-3-pyridinyl)amino]benzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid;ethyl 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoate;ethyl 5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;ethyl 5-cyclopropyl-2-[[6-phenyl-5-(trifluoromethyl)-3-pyridinyl]amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid is sourced from PubChem (CID 173080584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).