4-(2-cyanophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C17H15N5 — CID 135583845

IUPAC4-(2-cyanophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCCCC1=C(C#N)C(c2ccccc2C#N)c2cn[nH]c2N1
InChIInChI=1S/C17H15N5/c1-2-5-15-13(9-19)16(14-10-20-22-17(14)21-15)12-7-4-3-6-11(12)8-18/h3-4,6-7,10,16H,2,5H2,1H3,(H2,20,21,22)
InChIKeyNDLYUVGCFUFYPP-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.42
Rot. Bonds3

About 4-(2-cyanophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(2-cyanophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135583845) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-(2-cyanophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-cyanophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135583845
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name4-(2-cyanophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCCCC1=C(C#N)C(c2ccccc2C#N)c2cn[nH]c2N1
InChIInChI=1S/C17H15N5/c1-2-5-15-13(9-19)16(14-10-20-22-17(14)21-15)12-7-4-3-6-11(12)8-18/h3-4,6-7,10,16H,2,5H2,1H3,(H2,20,21,22)
InChIKeyNDLYUVGCFUFYPP-UHFFFAOYSA-N
XLogP3.42
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2-cyanophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135583845) is 4-(2-cyanophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-cyanophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-cyanophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is CCCC1=C(C#N)C(c2ccccc2C#N)c2cn[nH]c2N1.
What is the InChIKey of 4-(2-cyanophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is NDLYUVGCFUFYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-2-5-15-13(9-19)16(14-10-20-22-17(14)21-15)12-7-4-3-6-11(12)8-18/h3-4,6-7,10,16H,2,5H2,1H3,(H2,20,21,22).
What are the key properties of 4-(2-cyanophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2-cyanophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135583845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).