CN1C(=O)C2=CN(N=C2N3C1=NC4C3CCC4)CC5=CC=C(C=C5)C6=NC(=CC=C6)F
Nom: (11R,15S)-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
SMILES: CN1C(=O)C2=CN(N=C2N3C1=NC4C3CCC4)CC5=CC=C(C=C5)C6=NC(=CC=C6)F

Molecular Processing

Molecular formula
C23H21FN6O
Molecular weight
416.46
Exact mass
416.1761
XLogP
3.32
TPSA
66.62
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
31
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
114.39

Supplementary Information

InChIKey: CLYUHPLWQDZZSS-MOPGFXCFSA-N
Synonymes
SCHEMBL2512472CLYUHPLWQDZZSS-MOPGFXCFSA-N(6aR,9aS)-2-(4-(6-fluoropyridin-2-yl)benzyl)-5-methyl-5,6a,7,8,9,9a-hexahydrocyclopenta[4,5]imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(2H)-one(6aR,9aS)-5,6a,7,8,9,9a-hexahydro-5-methyl-2-(4-(6-fluoropyridin-2-yl)benzyl)-cyclopent[4,5]imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(2H)-one
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→