6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C19H21N5 — CID 90697067

IUPAC6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCN1CCC(C2=Nc3[nH]ncc3C(c3ccccc3)C2C#N)CC1
InChIInChI=1S/C19H21N5/c1-24-9-7-14(8-10-24)18-15(11-20)17(13-5-3-2-4-6-13)16-12-21-23-19(16)22-18/h2-6,12,14-15,17H,7-10H2,1H3,(H,21,23)
InChIKeyQRGUQHBXGGDGJL-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.11
Rot. Bonds2

About 6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 90697067) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID90697067
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCN1CCC(C2=Nc3[nH]ncc3C(c3ccccc3)C2C#N)CC1
InChIInChI=1S/C19H21N5/c1-24-9-7-14(8-10-24)18-15(11-20)17(13-5-3-2-4-6-13)16-12-21-23-19(16)22-18/h2-6,12,14-15,17H,7-10H2,1H3,(H,21,23)
InChIKeyQRGUQHBXGGDGJL-UHFFFAOYSA-N
XLogP3.11
TPSA68.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 90697067) is 6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is CN1CCC(C2=Nc3[nH]ncc3C(c3ccccc3)C2C#N)CC1.
What is the InChIKey of 6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is QRGUQHBXGGDGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-24-9-7-14(8-10-24)18-15(11-20)17(13-5-3-2-4-6-13)16-12-21-23-19(16)22-18/h2-6,12,14-15,17H,7-10H2,1H3,(H,21,23).
What are the key properties of 6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 319.41 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 90697067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).