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(5R,7S)-N-[3-[(1R)-1-hydroxyethyl]phenyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

Formula:C20H19N4O2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5R,7S)-N-[3-[(1R)-1-hydroxyethyl]phenyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is a drug-like molecule.
MolName(5R,7S)-N-[3-[(1R)-1-hydroxyethyl]phenyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
MolecularFormulaC20H19N4O2F3S
SmilesC[C@H](c1cccc(NC(c2c(N[C@H](C[C@H]3C(F)(F)F)c4cccs4)n3nc2)=O)c1)O
InChIInChI=1S/C20H19F3N4O2S/c1-11(28)12-4-2-5-13(8-12)25-19(29)14-10-24-27-17(20(21,22)23)9-15(26-18(14)27)16-6-3-7-30-16/h2-8,10-11,15,17,26,28H,9H2,1H3,(H,25,29)/t11-,15-,17+/m1/s1
InChIKNGFZCYZIFJLMFQ-JGFGOQIWSA-N
TotalMolweight436.457
Molweight436.457
MonoisotopicMass436.11808
CLogP3.1808
CLogS-4.315
H Acceptors6
H Donors3
TotalSurfaceArea303.18
Relative PSA0.28782
PolarSurfaceArea107.42
Druglikeness-1.1104
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.46667
Fragments1
Non HAtoms30
NonCHAtoms10
Electronegative Atoms10
StereoCenters3
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms8
Symmetricatoms2
Amides1
Aromatic Nitrogens2
StereoConthis enantiomer

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