1160521-50-5
(11R,15S)-5-anilino-4-[[4-(6-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
Molecular Identity
1160521-50-5
(11R,15S)-5-anilino-4-[[4-(6-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
PubChem CID: 42639643
2D Structure
Properties
C29H26FN7O
Molecular Formula
507.60
Molecular Weight
g/mol
507.2183
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
78.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
903
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
1160521-50-5LenrispodunITI-214 free baseITI-214ITI-214F3GBO34D1BEIC200214IC-200214Cyclopent(4,5)imidazo(1,2-a)pyrazolo(4,3-E)pyrimidin-4(2H)-one, 2-((4-(6-fluoro-2-pyridinyl)phenyl)methyl)-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylamino)-, (6aR,9aS)-RefChem:150203(11R,15S)-4-((4-(6-fluoropyridin-2-yl)phenyl)methyl)-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo(7.6.0.0^(2,6).0^(11,15))pentadeca-2,5,9-trien-7-oneITI214 free baseITI-214 (free base)Lenrispodun [USAN]UNII-3GBO34D1BE
Data from PubChem (NCBI)
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