
 CHEMBL272602

 43 46  0  0  0  0  0  0  0  0999 V2000
   -0.1509    0.9431   -0.9054 C   0  0  0  0  0
   -1.2050   -0.0869   -1.3649 C   0  0  0  0  0
   -0.6193   -1.0351   -2.3516 N   0  0  0  0  0
    0.6586   -1.6379   -1.9033 C   0  0  0  0  0
    1.6460   -0.5548   -1.3948 C   0  0  0  0  0
    1.0970    0.3561   -0.3575 N   0  0  0  0  0
    0.8955   -0.3652    0.9126 C   0  0  0  0  0
    0.3724    0.5456    1.9690 C   0  0  0  0  0
   -0.8550    0.5224    2.6054 C   0  0  0  0  0
   -2.0134   -0.3086    2.5378 C   0  0  0  0  0
   -3.1006    0.0015    3.2701 C   0  0  0  0  0
   -3.1234    1.1632    4.1407 C   0  0  0  0  0
   -2.0246    1.9297    4.2260 C   0  0  0  0  0
   -0.8899    1.6192    3.4735 N   0  0  0  0  0
    0.2873    2.2931    3.4529 N   0  0  0  0  0
    1.0268    1.6550    2.5458 C   0  0  0  0  0
   -1.6137   -1.9573   -2.7715 C   0  0  0  0  0
   -1.8307   -3.2102   -2.1870 C   0  0  0  0  0
   -2.8827   -4.0281   -2.6192 C   0  0  0  0  0
   -3.7371   -3.6036   -3.6376 C   0  0  0  0  0
   -3.5381   -2.3639   -4.2381 C   0  0  0  0  0
   -2.4848   -1.5674   -3.8072 C   0  0  0  0  0
   -2.2710   -0.3652   -4.4302 O   0  0  0  0  0
    0.1270    1.5639   -1.7685 H   0  0  0  0  0
   -0.6044    1.6432   -0.1954 H   0  0  0  0  0
   -2.0392    0.4655   -1.8147 H   0  0  0  0  0
   -1.6021   -0.6325   -0.5014 H   0  0  0  0  0
    0.5046   -2.3636   -1.0982 H   0  0  0  0  0
    1.1224   -2.1673   -2.7445 H   0  0  0  0  0
    2.5581   -1.0373   -1.0223 H   0  0  0  0  0
    1.9644    0.0579   -2.2487 H   0  0  0  0  0
    1.8603   -0.7590    1.2580 H   0  0  0  0  0
    0.2305   -1.2283    0.8021 H   0  0  0  0  0
   -2.0152   -1.1858    1.8996 H   0  0  0  0  0
   -3.9918   -0.6184    3.2300 H   0  0  0  0  0
   -4.0218    1.3836    4.7064 H   0  0  0  0  0
   -1.9514    2.8084    4.8520 H   0  0  0  0  0
    2.0189    2.0282    2.3240 H   0  0  0  0  0
   -1.2138   -3.5699   -1.3714 H   0  0  0  0  0
   -3.0401   -4.9967   -2.1511 H   0  0  0  0  0
   -4.5553   -4.2400   -3.9635 H   0  0  0  0  0
   -4.1891   -2.0221   -5.0363 H   0  0  0  0  0
   -1.4173   -0.0734   -4.0484 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8 16  1  0  0  0
  8  9  2  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 12 13  2  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 21 22  2  0  0  0
 21 42  1  0  0  0
 22 23  1  0  0  0
 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL272602

>  <PubChem CID>
24824065

>  <Formula>
C18H20N4O

>  <Molecular Weight>
308.385000

>  <IUPAC Name>
2-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CC2=C3C=CC=CN3N=C2)C4=CC=CC=C4O

>  <Isomeric SMILES>
C1CN(CCN1CC2=C3C=CC=CN3N=C2)C4=CC=CC=C4O

>  <InChI Std. ID>
InChI=1S/C18H20N4O/c23-18-7-2-1-6-17(18)21-11-9-20(10-12-21)14-15-13-19-22-8-4-3-5-16(15)22/h1-8,13,23H,9-12,14H2

>  <InChI Key>
ALLYNSCMTRSFNH-UHFFFAOYSA-N

