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

C25H19N3O4 — CID 118414925

IUPAC6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(Cc2ccccc2Oc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C25H19N3O4/c1-16-23-19(25(29)30)14-20(22-12-7-13-31-22)26-24(23)28(27-16)15-17-8-5-6-11-21(17)32-18-9-3-2-4-10-18/h2-14H,15H2,1H3,(H,29,30)
InChIKeyZFDWHWUBZZNOJB-UHFFFAOYSA-N
MW425.44 g/mol
LogP5.54
Rot. Bonds6

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

6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 118414925) has the molecular formula C25H19N3O4 and a molecular weight of 425.44 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID118414925
Molecular FormulaC25H19N3O4
Molecular Weight425.44 g/mol
Exact Mass425.14
IUPAC Name6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(Cc2ccccc2Oc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C25H19N3O4/c1-16-23-19(25(29)30)14-20(22-12-7-13-31-22)26-24(23)28(27-16)15-17-8-5-6-11-21(17)32-18-9-3-2-4-10-18/h2-14H,15H2,1H3,(H,29,30)
InChIKeyZFDWHWUBZZNOJB-UHFFFAOYSA-N
XLogP5.54
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.44
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 118414925) is 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1nn(Cc2ccccc2Oc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12.
What is the InChIKey of 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is ZFDWHWUBZZNOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4/c1-16-23-19(25(29)30)14-20(22-12-7-13-31-22)26-24(23)28(27-16)15-17-8-5-6-11-21(17)32-18-9-3-2-4-10-18/h2-14H,15H2,1H3,(H,29,30).
What are the key properties of 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 425.44 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 118414925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).