1-benzoylpyrazolo[3,4-b]pyridine-3-carbonitrile

C14H8N4O — CID 162671818

IUPAC1-benzoylpyrazolo[3,4-b]pyridine-3-carbonitrile
SMILESN#Cc1nn(C(=O)c2ccccc2)c2ncccc12
InChIInChI=1S/C14H8N4O/c15-9-12-11-7-4-8-16-13(11)18(17-12)14(19)10-5-2-1-3-6-10/h1-8H
InChIKeyPYOQKWGRBUQSNT-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.99
Rot. Bonds1

About 1-benzoylpyrazolo[3,4-b]pyridine-3-carbonitrile

1-benzoylpyrazolo[3,4-b]pyridine-3-carbonitrile (PubChem CID 162671818) has the molecular formula C14H8N4O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-benzoylpyrazolo[3,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzoylpyrazolo[3,4-b]pyridine-3-carbonitrile
PubChem CID162671818
Molecular FormulaC14H8N4O
Molecular Weight248.25 g/mol
Exact Mass248.07
IUPAC Name1-benzoylpyrazolo[3,4-b]pyridine-3-carbonitrile
SMILESN#Cc1nn(C(=O)c2ccccc2)c2ncccc12
InChIInChI=1S/C14H8N4O/c15-9-12-11-7-4-8-16-13(11)18(17-12)14(19)10-5-2-1-3-6-10/h1-8H
InChIKeyPYOQKWGRBUQSNT-UHFFFAOYSA-N
XLogP1.99
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzoylpyrazolo[3,4-b]pyridine-3-carbonitrile?
The IUPAC name of 1-benzoylpyrazolo[3,4-b]pyridine-3-carbonitrile (CID 162671818) is 1-benzoylpyrazolo[3,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for 1-benzoylpyrazolo[3,4-b]pyridine-3-carbonitrile?
The canonical SMILES for 1-benzoylpyrazolo[3,4-b]pyridine-3-carbonitrile is N#Cc1nn(C(=O)c2ccccc2)c2ncccc12.
What is the InChIKey of 1-benzoylpyrazolo[3,4-b]pyridine-3-carbonitrile?
The InChIKey is PYOQKWGRBUQSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O/c15-9-12-11-7-4-8-16-13(11)18(17-12)14(19)10-5-2-1-3-6-10/h1-8H.
What are the key properties of 1-benzoylpyrazolo[3,4-b]pyridine-3-carbonitrile?
1-benzoylpyrazolo[3,4-b]pyridine-3-carbonitrile has a molecular weight of 248.25 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoylpyrazolo[3,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 162671818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).