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

C22H15N5O2 — CID 71601058

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-isoquinolin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cncc3ccccc23)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C22H15N5O2/c28-22(29)17-9-20(18-11-24-10-15-3-1-2-4-16(15)18)26-21-19(17)12-25-27(21)13-14-5-7-23-8-6-14/h1-12H,13H2,(H,28,29)
InChIKeyGMTXSHJSYGMEGK-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.79
Rot. Bonds4

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

6-isoquinolin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71601058) has the molecular formula C22H15N5O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 6-isoquinolin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-isoquinolin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71601058
Molecular FormulaC22H15N5O2
Molecular Weight381.40 g/mol
Exact Mass381.12
IUPAC Name6-isoquinolin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cncc3ccccc23)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C22H15N5O2/c28-22(29)17-9-20(18-11-24-10-15-3-1-2-4-16(15)18)26-21-19(17)12-25-27(21)13-14-5-7-23-8-6-14/h1-12H,13H2,(H,28,29)
InChIKeyGMTXSHJSYGMEGK-UHFFFAOYSA-N
XLogP3.79
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-isoquinolin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-isoquinolin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71601058) is 6-isoquinolin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-isoquinolin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-isoquinolin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2cncc3ccccc23)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-isoquinolin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is GMTXSHJSYGMEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2/c28-22(29)17-9-20(18-11-24-10-15-3-1-2-4-16(15)18)26-21-19(17)12-25-27(21)13-14-5-7-23-8-6-14/h1-12H,13H2,(H,28,29).
What are the key properties of 6-isoquinolin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-isoquinolin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 381.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isoquinolin-4-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71601058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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