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

C19H20ClN5 — CID 135584162

IUPAC4-(2-chlorophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCN1CCC(C2=C(C#N)C(c3ccccc3Cl)c3cn[nH]c3N2)CC1
InChIInChI=1S/C19H20ClN5/c1-25-8-6-12(7-9-25)18-14(10-21)17(13-4-2-3-5-16(13)20)15-11-22-24-19(15)23-18/h2-5,11-12,17H,6-9H2,1H3,(H2,22,23,24)
InChIKeyFXABMOMTEPJYCV-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.74
Rot. Bonds2

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

4-(2-chlorophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135584162) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135584162
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name4-(2-chlorophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCN1CCC(C2=C(C#N)C(c3ccccc3Cl)c3cn[nH]c3N2)CC1
InChIInChI=1S/C19H20ClN5/c1-25-8-6-12(7-9-25)18-14(10-21)17(13-4-2-3-5-16(13)20)15-11-22-24-19(15)23-18/h2-5,11-12,17H,6-9H2,1H3,(H2,22,23,24)
InChIKeyFXABMOMTEPJYCV-UHFFFAOYSA-N
XLogP3.74
TPSA67.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2-chlorophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135584162) is 4-(2-chlorophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-chlorophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-chlorophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is CN1CCC(C2=C(C#N)C(c3ccccc3Cl)c3cn[nH]c3N2)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is FXABMOMTEPJYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-25-8-6-12(7-9-25)18-14(10-21)17(13-4-2-3-5-16(13)20)15-11-22-24-19(15)23-18/h2-5,11-12,17H,6-9H2,1H3,(H2,22,23,24).
What are the key properties of 4-(2-chlorophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2-chlorophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 353.86 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135584162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).