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

C20H20N6 — CID 135584070

IUPAC4-(2-cyanophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCN1CCC(C2=C(C#N)C(c3ccccc3C#N)c3cn[nH]c3N2)CC1
InChIInChI=1S/C20H20N6/c1-26-8-6-13(7-9-26)19-16(11-22)18(17-12-23-25-20(17)24-19)15-5-3-2-4-14(15)10-21/h2-5,12-13,18H,6-9H2,1H3,(H2,23,24,25)
InChIKeyRGTUHRZKJFGRIB-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.96
Rot. Bonds2

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

4-(2-cyanophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135584070) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-(2-cyanophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-cyanophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135584070
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name4-(2-cyanophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCN1CCC(C2=C(C#N)C(c3ccccc3C#N)c3cn[nH]c3N2)CC1
InChIInChI=1S/C20H20N6/c1-26-8-6-13(7-9-26)19-16(11-22)18(17-12-23-25-20(17)24-19)15-5-3-2-4-14(15)10-21/h2-5,12-13,18H,6-9H2,1H3,(H2,23,24,25)
InChIKeyRGTUHRZKJFGRIB-UHFFFAOYSA-N
XLogP2.96
TPSA91.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2-cyanophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135584070) is 4-(2-cyanophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-cyanophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-cyanophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is CN1CCC(C2=C(C#N)C(c3ccccc3C#N)c3cn[nH]c3N2)CC1.
What is the InChIKey of 4-(2-cyanophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is RGTUHRZKJFGRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-26-8-6-13(7-9-26)19-16(11-22)18(17-12-23-25-20(17)24-19)15-5-3-2-4-14(15)10-21/h2-5,12-13,18H,6-9H2,1H3,(H2,23,24,25).
What are the key properties of 4-(2-cyanophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2-cyanophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 344.42 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135584070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).