4-phenyl-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C18H19N5 — CID 135583946

IUPAC4-phenyl-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(C2CCNCC2)Nc2[nH]ncc2C1c1ccccc1
InChIInChI=1S/C18H19N5/c19-10-14-16(12-4-2-1-3-5-12)15-11-21-23-18(15)22-17(14)13-6-8-20-9-7-13/h1-5,11,13,16,20H,6-9H2,(H2,21,22,23)
InChIKeyLTEHHLZATNJJPU-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.74
Rot. Bonds2

About 4-phenyl-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-phenyl-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135583946) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-phenyl-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-phenyl-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135583946
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name4-phenyl-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(C2CCNCC2)Nc2[nH]ncc2C1c1ccccc1
InChIInChI=1S/C18H19N5/c19-10-14-16(12-4-2-1-3-5-12)15-11-21-23-18(15)22-17(14)13-6-8-20-9-7-13/h1-5,11,13,16,20H,6-9H2,(H2,21,22,23)
InChIKeyLTEHHLZATNJJPU-UHFFFAOYSA-N
XLogP2.74
TPSA76.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-phenyl-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135583946) is 4-phenyl-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-phenyl-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-phenyl-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#CC1=C(C2CCNCC2)Nc2[nH]ncc2C1c1ccccc1.
What is the InChIKey of 4-phenyl-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is LTEHHLZATNJJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c19-10-14-16(12-4-2-1-3-5-12)15-11-21-23-18(15)22-17(14)13-6-8-20-9-7-13/h1-5,11,13,16,20H,6-9H2,(H2,21,22,23).
What are the key properties of 4-phenyl-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-phenyl-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 305.38 g/mol, XLogP of 2.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135583946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).