6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile

C7H5N5 — CID 82415695

IUPAC6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1cc2cn[nH]c2nc1N
InChIInChI=1S/C7H5N5/c8-2-4-1-5-3-10-12-7(5)11-6(4)9/h1,3H,(H3,9,10,11,12)
InChIKeyLPZPLAUSNGTUMF-UHFFFAOYSA-N
MW159.15 g/mol
LogP0.41
Rot. Bonds

About 6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile

6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 82415695) has the molecular formula C7H5N5 and a molecular weight of 159.15 g/mol. Its IUPAC name is 6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID82415695
Molecular FormulaC7H5N5
Molecular Weight159.15 g/mol
Exact Mass159.05
IUPAC Name6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1cc2cn[nH]c2nc1N
InChIInChI=1S/C7H5N5/c8-2-4-1-5-3-10-12-7(5)11-6(4)9/h1,3H,(H3,9,10,11,12)
InChIKeyLPZPLAUSNGTUMF-UHFFFAOYSA-N
XLogP0.41
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-aminothieno[2,3-b]pyridine-5-carbonitrile
CID 23130750
6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carbonitrile
CID 139269810
6-nitro-1H-indazole-5-carbonitrile
CID 76846367
7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile
CID 84625234
2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82684894
5,8-diamino-3-sulfanylidene-1,2-dihydropyrido[3,2-f][1,2,4]triazepine-7-carbonitrile
CID 139236362
11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile
CID 172544513
1H-pyrazolo[3,4-b]pyridine-4-carbonitrile
CID 69434551
naphthalene-2,3,6,7-tetracarbonitrile
CID 66972136
2-(5-amino-1H-pyrazol-4-yl)benzonitrile
CID 117279793
4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 143370599
2-[3-amino-1-(1H-pyrazolo[5,4-b]pyridin-6-yl)propoxy]-4-chlorobenzonitrile
CID 170226666

Frequently Asked Questions

What is the IUPAC name of 6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 82415695) is 6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile is N#Cc1cc2cn[nH]c2nc1N.
What is the InChIKey of 6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is LPZPLAUSNGTUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5/c8-2-4-1-5-3-10-12-7(5)11-6(4)9/h1,3H,(H3,9,10,11,12).
What are the key properties of 6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 159.15 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 82415695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).