3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile

C13H13N3O — CID 103118537

IUPAC3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile
SMILESCC(C)C(C#N)C(=O)c1cnn2ccccc12
InChIInChI=1S/C13H13N3O/c1-9(2)10(7-14)13(17)11-8-15-16-6-4-3-5-12(11)16/h3-6,8-10H,1-2H3
InChIKeyJPOLFYVTTKBPPN-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.31
Rot. Bonds3

About 3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile

3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile (PubChem CID 103118537) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile.

Molecular Properties

Compound Name3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile
PubChem CID103118537
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile
SMILESCC(C)C(C#N)C(=O)c1cnn2ccccc12
InChIInChI=1S/C13H13N3O/c1-9(2)10(7-14)13(17)11-8-15-16-6-4-3-5-12(11)16/h3-6,8-10H,1-2H3
InChIKeyJPOLFYVTTKBPPN-UHFFFAOYSA-N
XLogP2.31
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ibudilast
CID 3671
1-Phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 877232
1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carbaldehyde
CID 877236
14-Amino-5-(1-methylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
CID 16036535
N-(2,3-dimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 16193945
(1,3-dimethyl-1H-pyrazol-4-yl)(phenyl)methanone
CID 673348
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 2497380
3-Pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one
CID 3237304
2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one
CID 3241417
2,3-Dihydroindol-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone
CID 5308192
4-[[(1R,2R)-2-cyano-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68292156
4-[[(1R,2S)-2-cyano-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68292183

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile?
The IUPAC name of 3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile (CID 103118537) is 3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile.
What is the SMILES notation for 3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile?
The canonical SMILES for 3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile is CC(C)C(C#N)C(=O)c1cnn2ccccc12.
What is the InChIKey of 3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile?
The InChIKey is JPOLFYVTTKBPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9(2)10(7-14)13(17)11-8-15-16-6-4-3-5-12(11)16/h3-6,8-10H,1-2H3.
What are the key properties of 3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile?
3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile has a molecular weight of 227.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile is sourced from PubChem (CID 103118537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).