CS(=O)(=O)C1=CC=C(C=C1)C2=CC=CN3C2=NC(=N3)NC4=CC=C(C=C4)N5CCC(CC5)N6CCOCC6
Name: 8-(4-methylsulfonylphenyl)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=CC=CN3C2=NC(=N3)NC4=CC=C(C=C4)N5CCC(CC5)N6CCOCC6

Molecular Processing

Molecular formula
C28H32N6O3S
Molecular weight
532.67
Exact mass
532.2257
XLogP
3.84
TPSA
92.07
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
38
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
148.88

Supplementary Information

InChIKey: LIQZZZOADFYIDR-UHFFFAOYSA-N
Synonyme
SCHEMBL2634367CHEMBL3642286BDBM99551LIQZZZOADFYIDR-UHFFFAOYSA-NUS8501936, 49[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(4-morpholin-4-yl-piperidin-1-yl)-phenyl]-amine
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