6-(furan-2-yl)-3-methyl-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid

C24H18N4O3 — CID 118423418

IUPAC6-(furan-2-yl)-3-methyl-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1c2c(C(=O)O)cc(-c3ccco3)nc2nn1Cc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C24H18N4O3/c1-15-22-19(24(29)30)13-20(21-3-2-12-31-21)26-23(22)27-28(15)14-16-4-6-17(7-5-16)18-8-10-25-11-9-18/h2-13H,14H2,1H3,(H,29,30)
InChIKeyPSSPBVHUBSQOOJ-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.81
Rot. Bonds5

About 6-(furan-2-yl)-3-methyl-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid

6-(furan-2-yl)-3-methyl-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 118423418) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methyl-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(furan-2-yl)-3-methyl-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID118423418
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name6-(furan-2-yl)-3-methyl-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1c2c(C(=O)O)cc(-c3ccco3)nc2nn1Cc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C24H18N4O3/c1-15-22-19(24(29)30)13-20(21-3-2-12-31-21)26-23(22)27-28(15)14-16-4-6-17(7-5-16)18-8-10-25-11-9-18/h2-13H,14H2,1H3,(H,29,30)
InChIKeyPSSPBVHUBSQOOJ-UHFFFAOYSA-N
XLogP4.81
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.81
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-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(furan-2-yl)-3-methyl-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 118423418) is 6-(furan-2-yl)-3-methyl-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(furan-2-yl)-3-methyl-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(furan-2-yl)-3-methyl-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid is Cc1c2c(C(=O)O)cc(-c3ccco3)nc2nn1Cc1ccc(-c2ccncc2)cc1.
What is the InChIKey of 6-(furan-2-yl)-3-methyl-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is PSSPBVHUBSQOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c1-15-22-19(24(29)30)13-20(21-3-2-12-31-21)26-23(22)27-28(15)14-16-4-6-17(7-5-16)18-8-10-25-11-9-18/h2-13H,14H2,1H3,(H,29,30).
What are the key properties of 6-(furan-2-yl)-3-methyl-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-(furan-2-yl)-3-methyl-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 410.43 g/mol, XLogP of 4.81, 5 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-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 118423418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).