C1CN(CCC1C(=O)O)CC2=CC(=NC=N2)OC3=CC4=C(C=C3)N(C=C4)C(=O)NC5=CC(=C(C=C5)F)C(F)(F)F
Name: 1-[[6-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methyl]piperidine-4-carboxylic acid
SMILES: C1CN(CCC1C(=O)O)CC2=CC(=NC=N2)OC3=CC4=C(C=C3)N(C=C4)C(=O)NC5=CC(=C(C=C5)F)C(F)(F)F

Molecular Processing

Molecular formula
C27H23F4N5O4
Molecular weight
557.5
Exact mass
557.1686
XLogP
5.76
TPSA
109.58
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
135.5

Supplementary Information

InChIKey: XSTWKMBMHUMCER-UHFFFAOYSA-N
Synonyme
SCHEMBL2500635XSTWKMBMHUMCER-UHFFFAOYSA-N1-((6-(1-(4-fluoro-3-(trifluoromethyl)phenylcarbamoyl)-1H-indol-5-yloxy)pyrimidin-4-yl)methyl)piperidine-4-carboxylic acid
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