C1CC1C(=O)CC2=CN=C(N=C2)C3=NN(C4=C3C=CC=N4)CC5=CC=CC=C5F
Name: 1-cyclopropyl-2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]ethanone
SMILES: C1CC1C(=O)CC2=CN=C(N=C2)C3=NN(C4=C3C=CC=N4)CC5=CC=CC=C5F

Molecular Processing

Molecular formula
C22H18FN5O
Molecular weight
387.42
Exact mass
387.1495
XLogP
3.6
TPSA
73.56
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
105.49

Supplementary Information

InChIKey: DATUYJFNCGGRQF-UHFFFAOYSA-N
Synonyme
SCHEMBL5777085DATUYJFNCGGRQF-UHFFFAOYSA-N1-cyclopropyl-2-{2-[1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}ethanone
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