4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C19H19N7O — CID 135515461

IUPAC4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCN1CCC(C2=C(C#N)C(c3cccc4nonc34)c3cn[nH]c3N2)CC1
InChIInChI=1S/C19H19N7O/c1-26-7-5-11(6-8-26)17-13(9-20)16(14-10-21-23-19(14)22-17)12-3-2-4-15-18(12)25-27-24-15/h2-4,10-11,16H,5-8H2,1H3,(H2,21,22,23)
InChIKeyGDSXKHNGRWMYAF-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.62
Rot. Bonds2

About 4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135515461) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135515461
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCN1CCC(C2=C(C#N)C(c3cccc4nonc34)c3cn[nH]c3N2)CC1
InChIInChI=1S/C19H19N7O/c1-26-7-5-11(6-8-26)17-13(9-20)16(14-10-21-23-19(14)22-17)12-3-2-4-15-18(12)25-27-24-15/h2-4,10-11,16H,5-8H2,1H3,(H2,21,22,23)
InChIKeyGDSXKHNGRWMYAF-UHFFFAOYSA-N
XLogP2.62
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135515461) is 4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is CN1CCC(C2=C(C#N)C(c3cccc4nonc34)c3cn[nH]c3N2)CC1.
What is the InChIKey of 4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is GDSXKHNGRWMYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-26-7-5-11(6-8-26)17-13(9-20)16(14-10-21-23-19(14)22-17)12-3-2-4-15-18(12)25-27-24-15/h2-4,10-11,16H,5-8H2,1H3,(H2,21,22,23).
What are the key properties of 4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 361.41 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135515461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).