Name: 6-(2-phenylethynyl)-4-(pyridin-4-yl)-5-(pyrimidin-5-yl)pyridin-2-amine
SMILES:
Nc1cc(-c2ccncc2)c(-c2cncnc2)c(C#Cc2ccccc2)n1Molecular Processing
Molecular formula
C22H15N5
Molecular weight
349.4
Exact mass
349.1327
XLogP
3.58
TPSA
77.58
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
105.33
Supplementary Information
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