6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid

C14H12N4O2 — CID 16793223

IUPAC6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cnn(Cc3cccnc3)c2n1
InChIInChI=1S/C14H12N4O2/c1-9-5-11(14(19)20)12-7-16-18(13(12)17-9)8-10-3-2-4-15-6-10/h2-7H,8H2,1H3,(H,19,20)
InChIKeyJPDHJCDDODTEFV-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.88
Rot. Bonds3

About 6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid

6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 16793223) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID16793223
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cnn(Cc3cccnc3)c2n1
InChIInChI=1S/C14H12N4O2/c1-9-5-11(14(19)20)12-7-16-18(13(12)17-9)8-10-3-2-4-15-6-10/h2-7H,8H2,1H3,(H,19,20)
InChIKeyJPDHJCDDODTEFV-UHFFFAOYSA-N
XLogP1.88
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 16793223) is 6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid is Cc1cc(C(=O)O)c2cnn(Cc3cccnc3)c2n1.
What is the InChIKey of 6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is JPDHJCDDODTEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-9-5-11(14(19)20)12-7-16-18(13(12)17-9)8-10-3-2-4-15-6-10/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 16793223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).