N-[6-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]norbornan-2-yl]pyrrolidine-1-carboxamide

HCID 67285331
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(NC1CC2CC(Nc3nc(-c4c[nH]c5ncc(F)cc45)ncc3F)C1C2)N1CCCC1
InChIKey
AXENETCZJZAEMY-UHFFFAOYSA-N
Molecular formula
C23H25F2N7O
Average molar mass
453.5 g/mol
Monoisotopic mass
453.20886477

Names & identifiers

Preferred name
N-[6-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]norbornan-2-yl]pyrrolidine-1-carboxamide
IUPAC
N-[6-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-bicyclo[2.2.1]heptanyl]pyrrolidine-1-carboxamide

Names & synonyms

SCHEMBL2125196AXENETCZJZAEMY-UHFFFAOYSA-NN-[6-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]norbornan-2-yl]pyrrolidine-1-carboxamide

Database identifiers

PubChem CID
67285331

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
98.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
33

Related reactions

2 records
New reaction record

Linked notes

Loading…