[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid

C14H17BN4O5 — CID 142754833

IUPAC[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid
SMILESN#Cc1cnn2cc(OCCN3CCOCC3)cc(OB(O)O)c12
InChIInChI=1S/C14H17BN4O5/c16-8-11-9-17-19-10-12(7-13(14(11)19)24-15(20)21)23-6-3-18-1-4-22-5-2-18/h7,9-10,20-21H,1-6H2
InChIKeyJVGKLTILSZLOJV-UHFFFAOYSA-N
MW332.12 g/mol
LogP-0.73
Rot. Bonds6

About [3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid

[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid (PubChem CID 142754833) has the molecular formula C14H17BN4O5 and a molecular weight of 332.12 g/mol. Its IUPAC name is [3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid.

Molecular Properties

Compound Name[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid
PubChem CID142754833
Molecular FormulaC14H17BN4O5
Molecular Weight332.12 g/mol
Exact Mass332.13
IUPAC Name[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid
SMILESN#Cc1cnn2cc(OCCN3CCOCC3)cc(OB(O)O)c12
InChIInChI=1S/C14H17BN4O5/c16-8-11-9-17-19-10-12(7-13(14(11)19)24-15(20)21)23-6-3-18-1-4-22-5-2-18/h7,9-10,20-21H,1-6H2
InChIKeyJVGKLTILSZLOJV-UHFFFAOYSA-N
XLogP-0.73
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167679021
6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435501
4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 134496096
4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435657
6-(2-morpholin-4-ylethoxy)-4-[6-(3-pyridin-2-yloxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435148
4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 134496945
N'-[(E)-2-(4-amino-4-methylpiperidin-1-yl)prop-1-enyl]-3-cyano-N-methylidene-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-4-carboximidamide
CID 155455871
1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane
CID 162083005
4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 147053019
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxylic acid
CID 134434541
2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide
CID 134434852
4-[2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)oxyethyl]morpholine
CID 155727791

Frequently Asked Questions

What is the IUPAC name of [3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid?
The IUPAC name of [3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid (CID 142754833) is [3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid.
What is the SMILES notation for [3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid?
The canonical SMILES for [3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid is N#Cc1cnn2cc(OCCN3CCOCC3)cc(OB(O)O)c12.
What is the InChIKey of [3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid?
The InChIKey is JVGKLTILSZLOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BN4O5/c16-8-11-9-17-19-10-12(7-13(14(11)19)24-15(20)21)23-6-3-18-1-4-22-5-2-18/h7,9-10,20-21H,1-6H2.
What are the key properties of [3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid?
[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid has a molecular weight of 332.12 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid is sourced from PubChem (CID 142754833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).