N-[7-(2-chloro-4,6-dimethylphenyl)-2-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]propionamide

HCID 22136285
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Basic information

Standard SMILES
CCC(=O)Nc1c2c(nn1C)N(c1c(C)cc(C)cc1Cl)CCC2
InChIKey
QMNVYNHVPJOXLG-UHFFFAOYSA-N
Molecular formula
C18H23ClN4O
Average molar mass
346.9 g/mol
Monoisotopic mass
346.1560391

Names & identifiers

Preferred name
N-[7-(2-chloro-4,6-dimethylphenyl)-2-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]propionamide
IUPAC
N-[7-(2-chloro-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]propanamide

Names & synonyms

SCHEMBL5048617QMNVYNHVPJOXLG-UHFFFAOYSA-NN-[7-(2-chloro-4,6-dimethylphenyl)-2-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]propionamide

Database identifiers

PubChem CID
22136285

Properties

Computed structural properties

XLogP
4
Topological polar surface area
50.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
24

Related reactions

5 records
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Compound notes

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