N5-(3-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyridin-2-yl)-6-methyl-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine

HCID 59627374
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Basic information

Standard SMILES
Cc1ccc2c(Nc3cccc(C(F)(F)F)c3)nccc2c1Nc1ncccc1-c1ncnc2[nH]ncc12
InChIKey
OBZJTSMKMUNBPN-UHFFFAOYSA-N
Molecular formula
C27H19F3N8
Average molar mass
512.5 g/mol
Monoisotopic mass
512.16847713

Names & identifiers

Preferred name
N5-(3-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyridin-2-yl)-6-methyl-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
IUPAC
6-methyl-5-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-pyridinyl]-1-N-[3-(trifluoromethyl)phenyl]isoquinoline-1,5-diamine

Names & synonyms

N5-(3-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyridin-2-yl)-6-methyl-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamineSCHEMBL3768730

Database identifiers

PubChem CID
59627374

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
104 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
38

Related reactions

2 records
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Compound notes

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