1-(pyridin-4-ylmethyl)-6-pyrimidin-5-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C17H12N6O2 — CID 71601061

IUPAC1-(pyridin-4-ylmethyl)-6-pyrimidin-5-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cncnc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C17H12N6O2/c24-17(25)13-5-15(12-6-19-10-20-7-12)22-16-14(13)8-21-23(16)9-11-1-3-18-4-2-11/h1-8,10H,9H2,(H,24,25)
InChIKeyYCKRGQLOARYKHZ-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.03
Rot. Bonds4

About 1-(pyridin-4-ylmethyl)-6-pyrimidin-5-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

1-(pyridin-4-ylmethyl)-6-pyrimidin-5-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71601061) has the molecular formula C17H12N6O2 and a molecular weight of 332.32 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-6-pyrimidin-5-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)-6-pyrimidin-5-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71601061
Molecular FormulaC17H12N6O2
Molecular Weight332.32 g/mol
Exact Mass332.10
IUPAC Name1-(pyridin-4-ylmethyl)-6-pyrimidin-5-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cncnc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C17H12N6O2/c24-17(25)13-5-15(12-6-19-10-20-7-12)22-16-14(13)8-21-23(16)9-11-1-3-18-4-2-11/h1-8,10H,9H2,(H,24,25)
InChIKeyYCKRGQLOARYKHZ-UHFFFAOYSA-N
XLogP2.03
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)-6-pyrimidin-5-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-(pyridin-4-ylmethyl)-6-pyrimidin-5-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71601061) is 1-(pyridin-4-ylmethyl)-6-pyrimidin-5-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)-6-pyrimidin-5-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-(pyridin-4-ylmethyl)-6-pyrimidin-5-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2cncnc2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)-6-pyrimidin-5-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is YCKRGQLOARYKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2/c24-17(25)13-5-15(12-6-19-10-20-7-12)22-16-14(13)8-21-23(16)9-11-1-3-18-4-2-11/h1-8,10H,9H2,(H,24,25).
What are the key properties of 1-(pyridin-4-ylmethyl)-6-pyrimidin-5-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-(pyridin-4-ylmethyl)-6-pyrimidin-5-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 332.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)-6-pyrimidin-5-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71601061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).