1,3-dimethylpyrazolo[4,5-b]pyridine-6-carbonitrile

C9H8N4 — CID 84717441

IUPAC1,3-dimethylpyrazolo[4,5-b]pyridine-6-carbonitrile
SMILESCc1nn(C)c2cc(C#N)cnc12
InChIInChI=1S/C9H8N4/c1-6-9-8(13(2)12-6)3-7(4-10)5-11-9/h3,5H,1-2H3
InChIKeyRQDVZRZWLHDOAY-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.15
Rot. Bonds

About 1,3-dimethylpyrazolo[4,5-b]pyridine-6-carbonitrile

1,3-dimethylpyrazolo[4,5-b]pyridine-6-carbonitrile (PubChem CID 84717441) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 1,3-dimethylpyrazolo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name1,3-dimethylpyrazolo[4,5-b]pyridine-6-carbonitrile
PubChem CID84717441
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name1,3-dimethylpyrazolo[4,5-b]pyridine-6-carbonitrile
SMILESCc1nn(C)c2cc(C#N)cnc12
InChIInChI=1S/C9H8N4/c1-6-9-8(13(2)12-6)3-7(4-10)5-11-9/h3,5H,1-2H3
InChIKeyRQDVZRZWLHDOAY-UHFFFAOYSA-N
XLogP1.15
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazolo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 1,3-dimethylpyrazolo[4,5-b]pyridine-6-carbonitrile (CID 84717441) is 1,3-dimethylpyrazolo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 1,3-dimethylpyrazolo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 1,3-dimethylpyrazolo[4,5-b]pyridine-6-carbonitrile is Cc1nn(C)c2cc(C#N)cnc12.
What is the InChIKey of 1,3-dimethylpyrazolo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is RQDVZRZWLHDOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c1-6-9-8(13(2)12-6)3-7(4-10)5-11-9/h3,5H,1-2H3.
What are the key properties of 1,3-dimethylpyrazolo[4,5-b]pyridine-6-carbonitrile?
1,3-dimethylpyrazolo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazolo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 84717441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).