N-((S)-3,3-dimethyl-1-((S)-2-(methyl-carbamoyl)pyrrolidin-1-yl)-1-oxobutan-2-yl)-5-methyl-3-(2,4,5-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamide

HCID 59345313
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)n1nc(-c2cc(F)c(F)cc2F)c2c1CCN(C)C2)C(C)(C)C
InChIKey
ALFOOPPNQSRRRC-RBBKRZOGSA-N
Molecular formula
C26H33F3N6O3
Average molar mass
534.6 g/mol

Names & identifiers

Preferred name
N-((S)-3,3-dimethyl-1-((S)-2-(methyl-carbamoyl)pyrrolidin-1-yl)-1-oxobutan-2-yl)-5-methyl-3-(2,4,5-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamide
IUPAC
N-[(2S)-3,3-dimethyl-1-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-5-methyl-3-(2,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxamide

Names & synonyms

SCHEMBL1336847ALFOOPPNQSRRRC-RBBKRZOGSA-NN-((S)-3,3-dimethyl-1-((S)-2-(methyl-carbamoyl)pyrrolidin-1-yl)-1-oxobutan-2-yl)-5-methyl-3-(2,4,5-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamide

Database identifiers

PubChem CID
59345313

Properties

Computed structural properties

XLogP
3
Topological polar surface area
99.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
38

Related reactions

1 records
New reaction record

Compound notes

Loading…