2-[5-(2,3-dihydro-1-benzofuran-7-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[[2-[2-(4-fluorophenyl)ethyl]-4-methylphenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

C137H128FN21O23 — CID 159753137

About 2-[5-(2,3-dihydro-1-benzofuran-7-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[[2-[2-(4-fluorophenyl)ethyl]-4-methylphenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-(2,3-dihydro-1-benzofuran-7-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[[2-[2-(4-fluorophenyl)ethyl]-4-methylphenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 159753137) has the molecular formula C137H128FN21O23 and a molecular weight of 2455.65 g/mol. Its IUPAC name is 2-[5-(2,3-dihydro-1-benzofuran-7-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[[2-[2-(4-fluorophenyl)ethyl]-4-methylphenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[5-(2,3-dihydro-1-benzofuran-7-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[[2-[2-(4-fluorophenyl)ethyl]-4-methylphenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
• PubChem CID: 159753137
• Molecular Formula: C137H128FN21O23
• Molecular Weight: 2455.65 g/mol
• Exact Mass: 2453.95
• IUPAC Name: 2-[5-(2,3-dihydro-1-benzofuran-7-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[[2-[2-(4-fluorophenyl)ethyl]-4-methylphenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
• SMILES: CC1(C)Cc2cccc(COc3ccnn3-c3cc(C(=O)O)ccn3)c2O1.CCc1cc(C)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.CCc1cc(C)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(C)c1.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(C)c1.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(CCc2ccc(F)cc2)c1.O=C(O)c1ccnc(-n2nccc2OCc2cccc3c2OCC3)c1
• InChI: InChI=1S/C25H22FN3O3.C20H19N3O4.2C19H19N3O3.C18H15N3O4.2C18H17N3O3/c1-17-2-6-21(19(14-17)7-3-18-4-8-22(26)9-5-18)16-32-24-11-13-28-29(24)23-15-20(25(30)31)10-12-27-23;1-20(2)11-14-4-3-5-15(18(14)27-20)12-26-17-7-9-22-23(17)16-10-13(19(24)25)6-8-21-16;2*1-3-14-10-13(2)4-5-16(14)12-25-18-7-9-21-22(18)17-11-15(19(23)24)6-8-20-17;22-18(23)13-4-7-19-15(10-13)21-16(5-8-20-21)25-11-14-3-1-2-12-6-9-24-17(12)14;2*1-12-3-4-15(13(2)9-12)11-24-17-6-8-20-21(17)16-10-14(18(22)23)5-7-19-16/h2,4-6,8-15H,3,7,16H2,1H3,(H,30,31);3-10H,11-12H2,1-2H3,(H,24,25);2*4-11H,3,12H2,1-2H3,(H,23,24);1-5,7-8,10H,6,9,11H2,(H,22,23);2*3-10H,11H2,1-2H3,(H,22,23)
• InChIKey: NDXGCDCVJRGXTF-UHFFFAOYSA-N
• XLogP: 23.67
• TPSA: 559.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 40
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2455.65
LogP ≤ 5	23.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dihydro-1-benzofuran-7-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[[2-[2-(4-fluorophenyl)ethyl]-4-methylphenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?

The IUPAC name of 2-[5-(2,3-dihydro-1-benzofuran-7-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[[2-[2-(4-fluorophenyl)ethyl]-4-methylphenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 159753137) is 2-[5-(2,3-dihydro-1-benzofuran-7-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[[2-[2-(4-fluorophenyl)ethyl]-4-methylphenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-[5-(2,3-dihydro-1-benzofuran-7-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[[2-[2-(4-fluorophenyl)ethyl]-4-methylphenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-[5-(2,3-dihydro-1-benzofuran-7-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[[2-[2-(4-fluorophenyl)ethyl]-4-methylphenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is CC1(C)Cc2cccc(COc3ccnn3-c3cc(C(=O)O)ccn3)c2O1.CCc1cc(C)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.CCc1cc(C)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(C)c1.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(C)c1.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(CCc2ccc(F)cc2)c1.O=C(O)c1ccnc(-n2nccc2OCc2cccc3c2OCC3)c1.

What is the InChIKey of 2-[5-(2,3-dihydro-1-benzofuran-7-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[[2-[2-(4-fluorophenyl)ethyl]-4-methylphenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?

The InChIKey is NDXGCDCVJRGXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3.C20H19N3O4.2C19H19N3O3.C18H15N3O4.2C18H17N3O3/c1-17-2-6-21(19(14-17)7-3-18-4-8-22(26)9-5-18)16-32-24-11-13-28-29(24)23-15-20(25(30)31)10-12-27-23;1-20(2)11-14-4-3-5-15(18(14)27-20)12-26-17-7-9-22-23(17)16-10-13(19(24)25)6-8-21-16;2*1-3-14-10-13(2)4-5-16(14)12-25-18-7-9-21-22(18)17-11-15(19(23)24)6-8-20-17;22-18(23)13-4-7-19-15(10-13)21-16(5-8-20-21)25-11-14-3-1-2-12-6-9-24-17(12)14;2*1-12-3-4-15(13(2)9-12)11-24-17-6-8-20-21(17)16-10-14(18(22)23)5-7-19-16/h2,4-6,8-15H,3,7,16H2,1H3,(H,30,31);3-10H,11-12H2,1-2H3,(H,24,25);2*4-11H,3,12H2,1-2H3,(H,23,24);1-5,7-8,10H,6,9,11H2,(H,22,23);2*3-10H,11H2,1-2H3,(H,22,23).

What are the key properties of 2-[5-(2,3-dihydro-1-benzofuran-7-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[[2-[2-(4-fluorophenyl)ethyl]-4-methylphenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?

2-[5-(2,3-dihydro-1-benzofuran-7-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[[2-[2-(4-fluorophenyl)ethyl]-4-methylphenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 2455.65 g/mol, XLogP of 23.67, 40 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(2,3-dihydro-1-benzofuran-7-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[[2-[2-(4-fluorophenyl)ethyl]-4-methylphenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 159753137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).