4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C21H24N6O2 — CID 134497146

IUPAC4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC(C)(N)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C21H24N6O2/c1-20(2,28)13-29-16-6-17(19-15(7-22)9-25-27(19)10-16)14-4-5-18(24-8-14)26-11-21(3,23)12-26/h4-6,8-10,28H,11-13,23H2,1-3H3
InChIKeyDQUYZFGDALZKGU-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.96
Rot. Bonds5

About 4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134497146) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134497146
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC(C)(N)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C21H24N6O2/c1-20(2,28)13-29-16-6-17(19-15(7-22)9-25-27(19)10-16)14-4-5-18(24-8-14)26-11-21(3,23)12-26/h4-6,8-10,28H,11-13,23H2,1-3H3
InChIKeyDQUYZFGDALZKGU-UHFFFAOYSA-N
XLogP1.96
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436242
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
3-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylazetidin-3-yl]-5-fluoro-2-methylbenzamide
CID 153410284
7-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid
CID 163211608
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
6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-(2-methoxyethoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435814
4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435682
4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435583
6-(2-hydroxy-2-methylpropoxy)-4-[6-(3-phenylmethoxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436245
6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-(4-methoxy-2H-pyrimidin-1-yl)-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175861835
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 134497183

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134497146) is 4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(N3CC(C)(N)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is DQUYZFGDALZKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-20(2,28)13-29-16-6-17(19-15(7-22)9-25-27(19)10-16)14-4-5-18(24-8-14)26-11-21(3,23)12-26/h4-6,8-10,28H,11-13,23H2,1-3H3.
What are the key properties of 4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 392.46 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134497146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).