4-(2,1,3-benzoxadiazol-4-yl)-6-propan-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C16H14N6O — CID 90688305

IUPAC4-(2,1,3-benzoxadiazol-4-yl)-6-propan-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)C1=Nc2[nH]ncc2C(c2cccc3nonc23)C1C#N
InChIInChI=1S/C16H14N6O/c1-8(2)14-10(6-17)13(11-7-18-20-16(11)19-14)9-4-3-5-12-15(9)22-23-21-12/h3-5,7-8,10,13H,1-2H3,(H,18,20)
InChIKeyJGBZEZOASPADMY-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.96
Rot. Bonds2

About 4-(2,1,3-benzoxadiazol-4-yl)-6-propan-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(2,1,3-benzoxadiazol-4-yl)-6-propan-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 90688305) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-(2,1,3-benzoxadiazol-4-yl)-6-propan-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2,1,3-benzoxadiazol-4-yl)-6-propan-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID90688305
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name4-(2,1,3-benzoxadiazol-4-yl)-6-propan-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)C1=Nc2[nH]ncc2C(c2cccc3nonc23)C1C#N
InChIInChI=1S/C16H14N6O/c1-8(2)14-10(6-17)13(11-7-18-20-16(11)19-14)9-4-3-5-12-15(9)22-23-21-12/h3-5,7-8,10,13H,1-2H3,(H,18,20)
InChIKeyJGBZEZOASPADMY-UHFFFAOYSA-N
XLogP2.96
TPSA103.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,1,3-benzoxadiazol-4-yl)-6-propan-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2,1,3-benzoxadiazol-4-yl)-6-propan-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 90688305) is 4-(2,1,3-benzoxadiazol-4-yl)-6-propan-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2,1,3-benzoxadiazol-4-yl)-6-propan-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2,1,3-benzoxadiazol-4-yl)-6-propan-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is CC(C)C1=Nc2[nH]ncc2C(c2cccc3nonc23)C1C#N.
What is the InChIKey of 4-(2,1,3-benzoxadiazol-4-yl)-6-propan-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is JGBZEZOASPADMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-8(2)14-10(6-17)13(11-7-18-20-16(11)19-14)9-4-3-5-12-15(9)22-23-21-12/h3-5,7-8,10,13H,1-2H3,(H,18,20).
What are the key properties of 4-(2,1,3-benzoxadiazol-4-yl)-6-propan-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2,1,3-benzoxadiazol-4-yl)-6-propan-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 306.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,1,3-benzoxadiazol-4-yl)-6-propan-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 90688305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).