6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C20H19N5O2 — CID 175856125

IUPAC6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(N3CCN(C(=O)C(O)c4ccccc4)CC3)ccc12
InChIInChI=1S/C20H19N5O2/c21-12-16-13-22-25-14-17(6-7-18(16)25)23-8-10-24(11-9-23)20(27)19(26)15-4-2-1-3-5-15/h1-7,13-14,19,26H,8-11H2
InChIKeyGHPCINFLSYTBRN-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.59
Rot. Bonds3

About 6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 175856125) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID175856125
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(N3CCN(C(=O)C(O)c4ccccc4)CC3)ccc12
InChIInChI=1S/C20H19N5O2/c21-12-16-13-22-25-14-17(6-7-18(16)25)23-8-10-24(11-9-23)20(27)19(26)15-4-2-1-3-5-15/h1-7,13-14,19,26H,8-11H2
InChIKeyGHPCINFLSYTBRN-UHFFFAOYSA-N
XLogP1.59
TPSA84.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 135241951
2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 110879969
4-[6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 135150193
2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
2-hydroxy-2-phenyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 111432215
2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 111539102
2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 11473622
4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile
CID 113081045
4-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740279
1-(4-cyclopentylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 111432279

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 175856125) is 6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(N3CCN(C(=O)C(O)c4ccccc4)CC3)ccc12.
What is the InChIKey of 6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is GHPCINFLSYTBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c21-12-16-13-22-25-14-17(6-7-18(16)25)23-8-10-24(11-9-23)20(27)19(26)15-4-2-1-3-5-15/h1-7,13-14,19,26H,8-11H2.
What are the key properties of 6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 361.41 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 175856125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).