1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid

C94H72N12O14 — CID 157455097

About 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid

1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 157455097) has the molecular formula C94H72N12O14 and a molecular weight of 1593.68 g/mol. Its IUPAC name is 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
• PubChem CID: 157455097
• Molecular Formula: C94H72N12O14
• Molecular Weight: 1593.68 g/mol
• Exact Mass: 1592.53
• IUPAC Name: 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
• SMILES: Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2cccc(Oc3ccccc3)c2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12
• InChI: InChI=1S/2C25H19N3O4.C25H19N3O3.C19H15N3O3/c1-16-23-20(25(29)30)14-21(22-11-6-12-31-22)26-24(23)28(27-16)15-17-7-5-10-19(13-17)32-18-8-3-2-4-9-18;1-16-23-20(25(29)30)14-21(22-8-5-13-31-22)26-24(23)28(27-16)15-17-9-11-19(12-10-17)32-18-6-3-2-4-7-18;1-16-23-20(25(29)30)14-21(22-8-5-13-31-22)26-24(23)28(27-16)15-17-9-11-19(12-10-17)18-6-3-2-4-7-18;1-12-17-14(19(23)24)10-15(16-8-5-9-25-16)20-18(17)22(21-12)11-13-6-3-2-4-7-13/h2*2-14H,15H2,1H3,(H,29,30);2-14H,15H2,1H3,(H,29,30);2-10H,11H2,1H3,(H,23,24)
• InChIKey: BTGKGMPQISDVDU-UHFFFAOYSA-N
• XLogP: 20.24
• TPSA: 343.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1593.68
LogP ≤ 5	20.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?

The IUPAC name of 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 157455097) is 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.

What is the SMILES notation for 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?

The canonical SMILES for 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2cccc(Oc3ccccc3)c2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12.

What is the InChIKey of 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?

The InChIKey is BTGKGMPQISDVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H19N3O4.C25H19N3O3.C19H15N3O3/c1-16-23-20(25(29)30)14-21(22-11-6-12-31-22)26-24(23)28(27-16)15-17-7-5-10-19(13-17)32-18-8-3-2-4-9-18;1-16-23-20(25(29)30)14-21(22-8-5-13-31-22)26-24(23)28(27-16)15-17-9-11-19(12-10-17)32-18-6-3-2-4-7-18;1-16-23-20(25(29)30)14-21(22-8-5-13-31-22)26-24(23)28(27-16)15-17-9-11-19(12-10-17)18-6-3-2-4-7-18;1-12-17-14(19(23)24)10-15(16-8-5-9-25-16)20-18(17)22(21-12)11-13-6-3-2-4-7-13/h2*2-14H,15H2,1H3,(H,29,30);2-14H,15H2,1H3,(H,29,30);2-10H,11H2,1H3,(H,23,24).

What are the key properties of 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?

1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 1593.68 g/mol, XLogP of 20.24, 21 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 157455097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).