3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid

C150H121N25O21 — CID 159854469

IUPAC3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)C1CCC(c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)CC1.O=C(O)c1cc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)ccn1.O=C(O)c1ccc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)cc1.O=C(O)c1ccc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)nc1.O=C(O)c1cccc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)c1.O=C(O)c1cccc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)n1.O=C(O)c1cncc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)c1
InChIInChI=1S/C22H17N3O3.C22H23N3O3.C22H17N3O3.4C21H16N4O3/c26-22(27)18-6-2-5-17(12-18)16-4-1-3-15(11-16)14-28-19-7-8-20(23-13-19)21-9-10-24-25-21;2*26-22(27)17-6-4-16(5-7-17)18-3-1-2-15(12-18)14-28-19-8-9-20(23-13-19)21-10-11-24-25-21;26-21(27)20-6-2-5-17(24-20)15-4-1-3-14(11-15)13-28-16-7-8-18(22-12-16)19-9-10-23-25-19;26-21(27)16-4-6-18(22-11-16)15-3-1-2-14(10-15)13-28-17-5-7-19(23-12-17)20-8-9-24-25-20;26-21(27)20-11-16(6-8-22-20)15-3-1-2-14(10-15)13-28-17-4-5-18(23-12-17)19-7-9-24-25-19;26-21(27)17-9-16(10-22-11-17)15-3-1-2-14(8-15)13-28-18-4-5-19(23-12-18)20-6-7-24-25-20/h1-13H,14H2,(H,24,25)(H,26,27);1-3,8-13,16-17H,4-7,14H2,(H,24,25)(H,26,27);1-13H,14H2,(H,24,25)(H,26,27);1-12H,13H2,(H,23,25)(H,26,27);3*1-12H,13H2,(H,24,25)(H,26,27)
InChIKeyNQISKRLMPXQYPK-UHFFFAOYSA-N
MW2609.77 g/mol
LogP28.48
Rot. Bonds42

About 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid

3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid (PubChem CID 159854469) has the molecular formula C150H121N25O21 and a molecular weight of 2609.77 g/mol. Its IUPAC name is 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid
PubChem CID159854469
Molecular FormulaC150H121N25O21
Molecular Weight2609.77 g/mol
Exact Mass2607.92
IUPAC Name3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)C1CCC(c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)CC1.O=C(O)c1cc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)ccn1.O=C(O)c1ccc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)cc1.O=C(O)c1ccc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)nc1.O=C(O)c1cccc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)c1.O=C(O)c1cccc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)n1.O=C(O)c1cncc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)c1
InChIInChI=1S/C22H17N3O3.C22H23N3O3.C22H17N3O3.4C21H16N4O3/c26-22(27)18-6-2-5-17(12-18)16-4-1-3-15(11-16)14-28-19-7-8-20(23-13-19)21-9-10-24-25-21;2*26-22(27)17-6-4-16(5-7-17)18-3-1-2-15(12-18)14-28-19-8-9-20(23-13-19)21-10-11-24-25-21;26-21(27)20-6-2-5-17(24-20)15-4-1-3-14(11-15)13-28-16-7-8-18(22-12-16)19-9-10-23-25-19;26-21(27)16-4-6-18(22-11-16)15-3-1-2-14(10-15)13-28-17-5-7-19(23-12-17)20-8-9-24-25-20;26-21(27)20-11-16(6-8-22-20)15-3-1-2-14(10-15)13-28-17-4-5-18(23-12-17)19-7-9-24-25-19;26-21(27)17-9-16(10-22-11-17)15-3-1-2-14(8-15)13-28-18-4-5-19(23-12-18)20-6-7-24-25-20/h1-13H,14H2,(H,24,25)(H,26,27);1-3,8-13,16-17H,4-7,14H2,(H,24,25)(H,26,27);1-13H,14H2,(H,24,25)(H,26,27);1-12H,13H2,(H,23,25)(H,26,27);3*1-12H,13H2,(H,24,25)(H,26,27)
InChIKeyNQISKRLMPXQYPK-UHFFFAOYSA-N
XLogP28.48
TPSA668.26 Ų
H-Bond Donors14
H-Bond Acceptors32
Rotatable Bonds42
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002609.77
LogP ≤ 528.48
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1032

Analyze 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11365192, Example 31-4
CID 149525252
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157075936
formic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 157611001
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
CID 157738017
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 158399370
2-[4-[6-(5,6-diethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-diethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one
CID 158576486
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 159425514
1-(3,3-difluoroazetidin-1-yl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one;N,N-dimethyl-2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxamide;1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one;1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one;3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid;3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-1-pyrrolidin-1-ylpropan-1-one
CID 159974930
6-(3-Carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine
CID 160997291
CID 161097175
CID 161097175
(E)-N,N-dimethyl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enamide;3-fluoro-1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]sulfonylpyrrolidine-3-carboxylic acid;N-methyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzenesulfonamide;4-[3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]butanoic acid;3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzamide;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyrazine-2-carboxylic acid;1,1,1-trifluoro-N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]methyl]methanesulfonamide
CID 161535317
6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid
CID 152962384

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid (CID 159854469) is 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid is O=C(O)C1CCC(c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)CC1.O=C(O)c1cc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)ccn1.O=C(O)c1ccc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)cc1.O=C(O)c1ccc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)nc1.O=C(O)c1cccc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)c1.O=C(O)c1cccc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)n1.O=C(O)c1cncc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)c1.
What is the InChIKey of 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid?
The InChIKey is NQISKRLMPXQYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3.C22H23N3O3.C22H17N3O3.4C21H16N4O3/c26-22(27)18-6-2-5-17(12-18)16-4-1-3-15(11-16)14-28-19-7-8-20(23-13-19)21-9-10-24-25-21;2*26-22(27)17-6-4-16(5-7-17)18-3-1-2-15(12-18)14-28-19-8-9-20(23-13-19)21-10-11-24-25-21;26-21(27)20-6-2-5-17(24-20)15-4-1-3-14(11-15)13-28-16-7-8-18(22-12-16)19-9-10-23-25-19;26-21(27)16-4-6-18(22-11-16)15-3-1-2-14(10-15)13-28-17-5-7-19(23-12-17)20-8-9-24-25-20;26-21(27)20-11-16(6-8-22-20)15-3-1-2-14(10-15)13-28-17-4-5-18(23-12-17)19-7-9-24-25-19;26-21(27)17-9-16(10-22-11-17)15-3-1-2-14(8-15)13-28-18-4-5-19(23-12-18)20-6-7-24-25-20/h1-13H,14H2,(H,24,25)(H,26,27);1-3,8-13,16-17H,4-7,14H2,(H,24,25)(H,26,27);1-13H,14H2,(H,24,25)(H,26,27);1-12H,13H2,(H,23,25)(H,26,27);3*1-12H,13H2,(H,24,25)(H,26,27).
What are the key properties of 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid?
3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid has a molecular weight of 2609.77 g/mol, XLogP of 28.48, 42 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]benzoic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclohexane-1-carboxylic acid;4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid;6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 159854469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).