4,4-Difluoro-5''-methyl-6'-[5-(prop-1-yn-1-yl)pyridin-3-yl]-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine

HCID 67979372

Basic information

Standard SMILES
CC#Cc1cncc(-c2ccc3c(c2)C2(N=C(C)C(N)=N2)C2(CCC(F)(F)CC2)C3)c1
InChIKey
HJMCUUCUCMHIEU-UHFFFAOYSA-N
Molecular formula
C25H24F2N4
Average molar mass
418.5 g/mol
Monoisotopic mass
418.19690311

Names & identifiers

Preferred name
4,4-Difluoro-5''-methyl-6'-[5-(prop-1-yn-1-yl)pyridin-3-yl]-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine

Names & synonyms

4,4-Difluoro-5''-methyl-6'-[5-(prop-1-yn-1-yl)pyridin-3-yl]-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amineSCHEMBL9947975CHEMBL3653695BDBM136782US8865911, 28h

Database identifiers

PubChem CID
67979372
ChEMBL
CHEMBL3653695

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
31

Related reactions

4 records

Compound notes

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