Name: 6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)pyridine-2-carboxylic acid methyl ester
SMILES:
COC(=O)c1cccc(-c2nn3c(c2-c2ccnc4ccccc24)CCC3)n1Molecular Processing
Molecular formula
C22H18N4O2
Molecular weight
370.41
Exact mass
370.143
XLogP
3.89
TPSA
69.9
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
105.86
Supplementary Information
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