(5S,7S)-N-(2,4-difluorophenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

Formula:C21H17N4O2F5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5S,7S)-N-(2,4-difluorophenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is a drug-like molecule.

MolName	(5S,7S)-N-(2,4-difluorophenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
MolecularFormula	C21H17N4O2F5
Smiles	COc1cccc([C@H](C[C@@H](C(F)(F)F)n2nc3)Nc2c3C(Nc(ccc(F)c2)c2F)=O)c1
InChI	InChI=1S/C21H17F5N4O2/c1-32-13-4-2-3-11(7-13)17-9-18(21(24,25)26)30-19(28-17)14(10-27-30)20(31)29-16-6-5-12(22)8-15(16)23/h2-8,10,17-18,28H,9H2,1H3,(H,29,31)/t17-,18-/m0/s1
InChIK	DFKJWTZKSFNLQF-ROUUACIJSA-N
TotalMolweight	452.382
Molweight	452.382
MonoisotopicMass	452.127166
CLogP	3.7564
CLogS	-4.996
H Acceptors	6
H Donors	2
TotalSurfaceArea	311.09
Relative PSA	0.20509
PolarSurfaceArea	68.18
Druglikeness	-1.38
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	2
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon	this enantiomer

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1 - (5S,7S)-N-(2,4-difluorophenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide | 2 - (5S,7S)-N-(2,4-difluorophenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

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