2-[5-[(7-chloro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

C107H90Cl2F4N18O21 — CID 158928464

About 2-[5-[(7-chloro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-[(7-chloro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 158928464) has the molecular formula C107H90Cl2F4N18O21 and a molecular weight of 2110.90 g/mol. Its IUPAC name is 2-[5-[(7-chloro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[5-[(7-chloro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
• PubChem CID: 158928464
• Molecular Formula: C107H90Cl2F4N18O21
• Molecular Weight: 2110.90 g/mol
• Exact Mass: 2108.58
• IUPAC Name: 2-[5-[(7-chloro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
• SMILES: CC(C)COc1cc(F)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.Cc1cc(COc2ccnn2-c2cc(C(=O)O)ccn2)ccc1F.Cc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.Cc1cc(F)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)c3c2CCO3)c1.O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)c3c2CCO3)c1
• InChI: InChI=1S/C20H20FN3O4.C18H14ClN3O4.C18H14FN3O4.C17H14ClN3O3.2C17H14FN3O3/c1-13(2)11-27-17-10-16(21)4-3-15(17)12-28-19-6-8-23-24(19)18-9-14(20(25)26)5-7-22-18;2*19-14-2-1-12(13-5-8-25-17(13)14)10-26-16-4-7-21-22(16)15-9-11(18(23)24)3-6-20-15;2*1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15;1-11-8-12(2-3-14(11)18)10-24-16-5-7-20-21(16)15-9-13(17(22)23)4-6-19-15/h3-10,13H,11-12H2,1-2H3,(H,25,26);2*1-4,6-7,9H,5,8,10H2,(H,23,24);3*2-9H,10H2,1H3,(H,22,23)
• InChIKey: JISVIZDQWQEIFV-UHFFFAOYSA-N
• XLogP: 18.96
• TPSA: 491.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2110.90
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(7-chloro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?

The IUPAC name of 2-[5-[(7-chloro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 158928464) is 2-[5-[(7-chloro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-[5-[(7-chloro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-[5-[(7-chloro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is CC(C)COc1cc(F)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.Cc1cc(COc2ccnn2-c2cc(C(=O)O)ccn2)ccc1F.Cc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.Cc1cc(F)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)c3c2CCO3)c1.O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)c3c2CCO3)c1.

What is the InChIKey of 2-[5-[(7-chloro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?

The InChIKey is JISVIZDQWQEIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4.C18H14ClN3O4.C18H14FN3O4.C17H14ClN3O3.2C17H14FN3O3/c1-13(2)11-27-17-10-16(21)4-3-15(17)12-28-19-6-8-23-24(19)18-9-14(20(25)26)5-7-22-18;2*19-14-2-1-12(13-5-8-25-17(13)14)10-26-16-4-7-21-22(16)15-9-11(18(23)24)3-6-20-15;2*1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15;1-11-8-12(2-3-14(11)18)10-24-16-5-7-20-21(16)15-9-13(17(22)23)4-6-19-15/h3-10,13H,11-12H2,1-2H3,(H,25,26);2*1-4,6-7,9H,5,8,10H2,(H,23,24);3*2-9H,10H2,1H3,(H,22,23).

What are the key properties of 2-[5-[(7-chloro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?

2-[5-[(7-chloro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 2110.90 g/mol, XLogP of 18.96, 33 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(7-chloro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158928464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).