6-ethoxy-4-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H25N5O2 — CID 134434719

IUPAC6-ethoxy-4-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(O)(c4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H25N5O2/c1-2-33-22-14-23(25-20(15-27)17-29-31(25)18-22)19-8-9-24(28-16-19)30-12-10-26(32,11-13-30)21-6-4-3-5-7-21/h3-9,14,16-18,32H,2,10-13H2,1H3
InChIKeySCGLSIOKIDHBQJ-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.15
Rot. Bonds5

About 6-ethoxy-4-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434719) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 6-ethoxy-4-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434719
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name6-ethoxy-4-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(O)(c4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H25N5O2/c1-2-33-22-14-23(25-20(15-27)17-29-31(25)18-22)19-8-9-24(28-16-19)30-12-10-26(32,11-13-30)21-6-4-3-5-7-21/h3-9,14,16-18,32H,2,10-13H2,1H3
InChIKeySCGLSIOKIDHBQJ-UHFFFAOYSA-N
XLogP4.15
TPSA86.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434719) is 6-ethoxy-4-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(O)(c4ccccc4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-ethoxy-4-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is SCGLSIOKIDHBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-2-33-22-14-23(25-20(15-27)17-29-31(25)18-22)19-8-9-24(28-16-19)30-12-10-26(32,11-13-30)21-6-4-3-5-7-21/h3-9,14,16-18,32H,2,10-13H2,1H3.
What are the key properties of 6-ethoxy-4-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 439.52 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).