N#CN1Cc2cnn(C(=O)N3CCC(c4ccc(F)c(F)c4C(F)(F)F)CC3)c2C1
Название: 1-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile
SMILES: N#CN1Cc2cnn(C(=O)N3CCC(c4ccc(F)c(F)c4C(F)(F)F)CC3)c2C1

Molecular Processing

Molecular formula
C19H16F5N5O
Molecular weight
425.36
Exact mass
425.1275
XLogP
3.82
TPSA
65.16
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
92.79

Supplementary Information

InChIKey: REKAVIZRYHCDNJ-UHFFFAOYSA-N
Синонимы
SCHEMBL29813214REKAVIZRYHCDNJ-UHFFFAOYSA-N(4-(3,4-difluoro-2-(trifluoromethyl)phenyl)piperidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carbonitrile
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