
 CHEMBL3717583

 55 59  0  0  0  0  0  0  0  0999 V2000
    2.0610   -3.5957    4.2380 C   0  0  0  0  0
    2.8821   -2.5533    3.5312 C   0  0  0  0  0
    3.1741   -1.4313    4.2438 N   0  0  0  0  0
    3.8844   -0.4789    3.6155 C   0  0  0  0  0
    4.3091   -0.5906    2.3072 C   0  0  0  0  0
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    2.9858   -3.9060    1.5415 N   0  0  0  0  0
    3.3925   -4.0166    0.2559 C   0  0  0  0  0
    4.1309   -2.9680   -0.3563 C   0  0  0  0  0
    4.4242   -1.8291    0.3180 N   0  0  0  0  0
    4.5442   -3.1023   -1.7113 N   0  0  0  0  0
    5.3935   -2.0582   -2.2833 C   0  0  0  0  0
    5.5709   -1.9421   -3.7703 C   0  0  0  0  0
    4.7734   -0.9094   -3.0288 C   0  0  0  0  0
    3.0844   -5.2169   -0.4677 N   0  0  0  0  0
    1.9354   -4.9434   -1.3561 C   0  0  0  0  0
    1.5276   -6.2187   -2.1058 C   0  0  0  0  0
    1.2921   -7.4297   -1.1778 C   0  0  0  0  0
    2.5321   -7.5992   -0.2879 C   0  0  0  0  0
    2.8596   -6.3238    0.4795 C   0  0  0  0  0
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   -0.6567   -9.7276    0.0268 C   0  0  0  0  0
   -1.2414  -11.9796    0.4127 F   0  0  0  0  0
    0.0340   -7.0952    2.4412 F   0  0  0  0  0
   -0.1105   -6.1004    0.2145 F   0  0  0  0  0
   -1.0336   -7.2370   -1.3672 F   0  0  0  0  0
    1.8672   -3.3006    5.2745 H   0  0  0  0  0
    2.5875   -4.5551    4.2540 H   0  0  0  0  0
    1.0957   -3.7202    3.7366 H   0  0  0  0  0
    4.1080    0.4046    4.2061 H   0  0  0  0  0
    4.8758    0.2081    1.8417 H   0  0  0  0  0
    4.8385   -4.0706   -1.8359 H   0  0  0  0  0
    6.2716   -1.8438   -1.6775 H   0  0  0  0  0
    5.0341   -2.6332   -4.4081 H   0  0  0  0  0
    6.5468   -1.6533   -4.1417 H   0  0  0  0  0
    5.2048    0.0727   -2.8810 H   0  0  0  0  0
    3.6967   -0.9093   -3.1517 H   0  0  0  0  0
    2.1965   -4.1922   -2.1107 H   0  0  0  0  0
    1.0870   -4.5382   -0.7927 H   0  0  0  0  0
    0.6364   -6.0198   -2.7123 H   0  0  0  0  0
    2.3294   -6.4769   -2.8109 H   0  0  0  0  0
    1.2189   -8.3174   -1.8211 H   0  0  0  0  0
    2.4092   -8.4347    0.4091 H   0  0  0  0  0
    3.3874   -7.8599   -0.9264 H   0  0  0  0  0
    2.0504   -6.1102    1.1869 H   0  0  0  0  0
    3.7744   -6.5017    1.0600 H   0  0  0  0  0
   -0.5471   -9.1556    3.8616 H   0  0  0  0  0
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   -0.7123   -9.9116   -1.0432 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
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  9 10  1  0  0  0
  9 16  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3717583

>  <PubChem CID>
118308547

>  <Formula>
C23H23F4N5

>  <Molecular Weight>
445.466000

>  <IUPAC Name>
N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-difluoromethyl]piperidin-1-yl]-5-methylpyrido[3,4-b]pyrazin-2-amine

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=NC=CC2=C1N=C(C(=N2)NC3CC3)N4CCC(CC4)C(C5=C(C=CC(=C5)F)F)(F)F

>  <Isomeric SMILES>
CC1=NC=CC2=C1N=C(C(=N2)NC3CC3)N4CCC(CC4)C(C5=C(C=CC(=C5)F)F)(F)F

>  <InChI Std. ID>
InChI=1S/C23H23F4N5/c1-13-20-19(6-9-28-13)30-21(29-16-3-4-16)22(31-20)32-10-7-14(8-11-32)23(26,27)17-12-15(24)2-5-18(17)25/h2,5-6,9,12,14,16H,3-4,7-8,10-11H2,1H3,(H,29,30)

>  <InChI Key>
CWQBBCKXEGCVHD-UHFFFAOYSA-N

