N-(2-{(3aR,6aR)-5-Methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl}-4-methoxy-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide

HCID 86677288
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N1CC[C@@H]2CN(C)C[C@@H]21
InChIKey
ZIZOBQZQLIQQSH-WINIVTDRSA-N
Molecular formula
C30H33N7O2
Average molar mass
523.6 g/mol

Names & identifiers

Preferred name
N-(2-{(3aR,6aR)-5-Methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl}-4-methoxy-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
IUPAC
N-[2-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide

Names & synonyms

SCHEMBL14718961ZIZOBQZQLIQQSH-WINIVTDRSA-NN-(2-{(3aR,6aR)-5-Methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl}-4-methoxy-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide

Database identifiers

PubChem CID
86677288

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
87.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
39

Related reactions

1 records
New reaction record

Compound notes

Loading…