
 Fezolinetant

 40 43  0  0  0  0  0  0  0  0999 V2000
    1.1876   -0.5150   -0.9604 C   0  0  0  0  0
    2.5210   -0.4580   -0.2051 C   0  0  0  0  0
    3.1229   -1.8283   -0.1560 C   0  0  0  0  0
    2.9243   -2.7982    0.7101 N   0  0  0  0  0
    3.6834   -3.8788    0.3108 N   0  0  0  0  0
    4.3241   -3.5536   -0.7975 C   0  0  0  0  0
    4.0092   -2.2631   -1.1032 N   0  0  0  0  0
    4.5147   -1.3788   -2.1223 C   0  0  0  0  0
    4.6564    0.0194   -1.5317 C   0  0  0  0  0
    3.4546    0.5123   -0.8338 N   0  0  0  0  0
    3.2047    1.8700   -0.6055 C   0  0  0  0  0
    2.1877    2.2923   -0.0643 O   0  0  0  0  0
    4.2020    2.8704   -1.0514 C   0  0  0  0  0
    3.8079    3.8529   -1.9683 C   0  0  0  0  0
    4.7390    4.7919   -2.4159 C   0  0  0  0  0
    6.0450    4.7469   -1.9361 C   0  0  0  0  0
    6.4357    3.7948   -0.9990 C   0  0  0  0  0
    5.5067    2.8604   -0.5398 C   0  0  0  0  0
    6.9406    5.6388   -2.3783 F   0  0  0  0  0
    5.1883   -4.4063   -1.5450 C   0  0  0  0  0
    5.6140   -4.1441   -2.7669 N   0  0  0  0  0
    6.4248   -5.1953   -3.1811 C   0  0  0  0  0
    6.6595   -6.2145   -2.3521 N   0  0  0  0  0
    5.7964   -5.8969   -0.9541 S   0  0  0  0  0
    7.0083   -5.1763   -4.5433 C   0  0  0  0  0
    0.6645    0.4456   -0.9302 H   0  0  0  0  0
    0.5210   -1.2683   -0.5253 H   0  0  0  0  0
    1.3373   -0.7715   -2.0156 H   0  0  0  0  0
    2.3311   -0.1214    0.8217 H   0  0  0  0  0
    5.4919   -1.7222   -2.4683 H   0  0  0  0  0
    3.8021   -1.3971   -2.9531 H   0  0  0  0  0
    5.4618    0.0108   -0.7864 H   0  0  0  0  0
    4.9401    0.7176   -2.3250 H   0  0  0  0  0
    2.7824    3.8864   -2.3291 H   0  0  0  0  0
    4.4553    5.5594   -3.1297 H   0  0  0  0  0
    7.4562    3.7940   -0.6281 H   0  0  0  0  0
    5.7992    2.1360    0.2157 H   0  0  0  0  0
    7.7727   -5.9495   -4.6683 H   0  0  0  0  0
    7.4709   -4.2052   -4.7448 H   0  0  0  0  0
    6.2244   -5.3446   -5.2884 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
 20 24  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 25  1  0  0  0
 23 24  1  0  0  0
 25 38  1  0  0  0
 25 39  1  0  0  0
 25 40  1  0  0  0
M  END

>  <Chemical Name>
Fezolinetant

>  <PubChem CID>
117604931

>  <Formula>
C16H15FN6OS

>  <Molecular Weight>
358.395000

>  <IUPAC Name>
(4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1C2=NN=C(N2CCN1C(=O)C3=CC=C(C=C3)F)C4=NC(=NS4)C

>  <Isomeric SMILES>
C[C@@H]1C2=NN=C(N2CCN1C(=O)C3=CC=C(C=C3)F)C4=NC(=NS4)C

>  <InChI Std. ID>
InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1

>  <InChI Key>
PPSNFPASKFYPMN-SECBINFHSA-N

