6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

C21H15N5O2 — CID 71601059

IUPAC6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3[nH]ccc3c2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C21H15N5O2/c27-21(28)16-10-19(14-1-2-18-15(9-14)5-8-23-18)25-20-17(16)11-24-26(20)12-13-3-6-22-7-4-13/h1-11,23H,12H2,(H,27,28)
InChIKeyJGQGEKBAZNVLEI-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.72
Rot. Bonds4

About 6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71601059) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is 6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71601059
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Name6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3[nH]ccc3c2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C21H15N5O2/c27-21(28)16-10-19(14-1-2-18-15(9-14)5-8-23-18)25-20-17(16)11-24-26(20)12-13-3-6-22-7-4-13/h1-11,23H,12H2,(H,27,28)
InChIKeyJGQGEKBAZNVLEI-UHFFFAOYSA-N
XLogP3.72
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71601059) is 6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccc3[nH]ccc3c2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is JGQGEKBAZNVLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c27-21(28)16-10-19(14-1-2-18-15(9-14)5-8-23-18)25-20-17(16)11-24-26(20)12-13-3-6-22-7-4-13/h1-11,23H,12H2,(H,27,28).
What are the key properties of 6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 369.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71601059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).