2-((2-chloro-5-cyano-3-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)amino)-4-(ethylamino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile

HCID 89923263
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Basic information

Standard SMILES
CCNc1nc(Nc2cc(C#N)cc(N3C[C@@H]4C[C@H]3CN4C)c2Cl)nn2c(C#N)cnc12
InChIKey
FXMIZTNNVWRVGO-KBPBESRZSA-N
Molecular formula
C21H21ClN10
Average molar mass
448.9 g/mol

Names & identifiers

Preferred name
2-((2-chloro-5-cyano-3-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)amino)-4-(ethylamino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
IUPAC
2-[2-chloro-5-cyano-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]anilino]-4-(ethylamino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile

Names & synonyms

SCHEMBL15414591FXMIZTNNVWRVGO-KBPBESRZSA-N2-((2-chloro-5-cyano-3-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)amino)-4-(ethylamino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile

Database identifiers

PubChem CID
89923263

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
121 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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