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

C25H19N3O3 — CID 118414932

IUPAC6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(Cc2ccc(-c3ccccc3)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C25H19N3O3/c1-16-23-20(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/h2-14H,15H2,1H3,(H,29,30)
InChIKeyVCOKWPGYJIDRHC-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.41
Rot. Bonds5

About 6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)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 118414932) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID118414932
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(Cc2ccc(-c3ccccc3)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C25H19N3O3/c1-16-23-20(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/h2-14H,15H2,1H3,(H,29,30)
InChIKeyVCOKWPGYJIDRHC-UHFFFAOYSA-N
XLogP5.41
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 118414932) is 6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 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.
What is the InChIKey of 6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is VCOKWPGYJIDRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c1-16-23-20(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/h2-14H,15H2,1H3,(H,29,30).
What are the key properties of 6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)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 409.45 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 118414932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).