6-(2-hydroxy-2-methylpropoxy)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride

C17H21ClN4O2 — CID 162752747

IUPAC6-(2-hydroxy-2-methylpropoxy)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
SMILESCC(C)(O)COc1cc(C2=CCNCC2)c2c(C#N)cnn2c1.Cl
InChIInChI=1S/C17H20N4O2.ClH/c1-17(2,22)11-23-14-7-15(12-3-5-19-6-4-12)16-13(8-18)9-20-21(16)10-14;/h3,7,9-10,19,22H,4-6,11H2,1-2H3;1H
InChIKeyIZOWRDCZZATDDR-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.15
Rot. Bonds4

About 6-(2-hydroxy-2-methylpropoxy)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride

6-(2-hydroxy-2-methylpropoxy)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride (PubChem CID 162752747) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-(2-hydroxy-2-methylpropoxy)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
PubChem CID162752747
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name6-(2-hydroxy-2-methylpropoxy)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
SMILESCC(C)(O)COc1cc(C2=CCNCC2)c2c(C#N)cnn2c1.Cl
InChIInChI=1S/C17H20N4O2.ClH/c1-17(2,22)11-23-14-7-15(12-3-5-19-6-4-12)16-13(8-18)9-20-21(16)10-14;/h3,7,9-10,19,22H,4-6,11H2,1-2H3;1H
InChIKeyIZOWRDCZZATDDR-UHFFFAOYSA-N
XLogP2.15
TPSA82.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162752705
6-(2-hydroxy-2-methylpropoxy)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 138521644
6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155405921
6-(2-hydroxy-2-methylpropoxy)-4-pyrazol-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
CID 163261992
6-(2-hydroxy-2-methylpropoxy)-4-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436242
4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134497146
6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155666101
2-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2,5-dihydropyrrole-1-carboxylic acid
CID 175927636
4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155388179
4-[6-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434729
6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-(2-methoxyethoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435814
tert-butyl 4-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 134436929

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride (CID 162752747) is 6-(2-hydroxy-2-methylpropoxy)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 6-(2-hydroxy-2-methylpropoxy)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride is CC(C)(O)COc1cc(C2=CCNCC2)c2c(C#N)cnn2c1.Cl.
What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?
The InChIKey is IZOWRDCZZATDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2.ClH/c1-17(2,22)11-23-14-7-15(12-3-5-19-6-4-12)16-13(8-18)9-20-21(16)10-14;/h3,7,9-10,19,22H,4-6,11H2,1-2H3;1H.
What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?
6-(2-hydroxy-2-methylpropoxy)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-2-methylpropoxy)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 162752747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).