(2S)-4,4-difluoro-1-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydroimidazo[1,2-d]pyrido[3,4-f][1,4]oxazepin-9-yl)pyrrolidine-2-carboxamide

HCID 58204366

Basic information

Standard SMILES
CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(N3CC(F)(F)C[C@H]3C(N)=O)cc1OCC2
InChIKey
CPWIDSZVSSAXLZ-AWEZNQCLSA-N
Molecular formula
C20H22F2N8O2
Average molar mass
444.4 g/mol

Names & identifiers

Preferred name
(2S)-4,4-difluoro-1-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydroimidazo[1,2-d]pyrido[3,4-f][1,4]oxazepin-9-yl)pyrrolidine-2-carboxamide
IUPAC
(2S)-4,4-difluoro-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)-9-oxa-3,6,13-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaen-12-yl]pyrrolidine-2-carboxamide

Names & synonyms

(2S)-4,4-difluoro-1-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydroimidazo[1,2-d]pyrido[3,4-f][1,4]oxazepin-9-yl)pyrrolidine-2-carboxamideSCHEMBL11967531

Database identifiers

PubChem CID
58204366

Properties

Computed structural properties

XLogP
1
Topological polar surface area
117 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
32

Related reactions

5 records

Compound notes

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