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

C22H26N6O2 — CID 134434729

IUPAC4-[6-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC[C@](C)(N)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C22H26N6O2/c1-21(2,29)14-30-17-8-18(20-16(9-23)11-26-28(20)12-17)15-4-5-19(25-10-15)27-7-6-22(3,24)13-27/h4-5,8,10-12,29H,6-7,13-14,24H2,1-3H3/t22-/m0/s1
InChIKeyCASATXRWSUYBDM-QFIPXVFZSA-N
MW406.49 g/mol
LogP2.35
Rot. Bonds5

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

4-[6-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434729) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-[6-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434729
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name4-[6-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC[C@](C)(N)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C22H26N6O2/c1-21(2,29)14-30-17-8-18(20-16(9-23)11-26-28(20)12-17)15-4-5-19(25-10-15)27-7-6-22(3,24)13-27/h4-5,8,10-12,29H,6-7,13-14,24H2,1-3H3/t22-/m0/s1
InChIKeyCASATXRWSUYBDM-QFIPXVFZSA-N
XLogP2.35
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436242
4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435583
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
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
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide
CID 134496758
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
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]-2,6-dimethylpyridine-4-carboxamide
CID 134496877
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-[4-[fluoro(phenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435752
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-methylpyridine-3-carboxamide
CID 134497232

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 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) is 4-[6-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(N3CC[C@](C)(N)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is CASATXRWSUYBDM-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-21(2,29)14-30-17-8-18(20-16(9-23)11-26-28(20)12-17)15-4-5-19(25-10-15)27-7-6-22(3,24)13-27/h4-5,8,10-12,29H,6-7,13-14,24H2,1-3H3/t22-/m0/s1.
What are the key properties of 4-[6-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 406.49 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).