
 CHEMBL148385

 41 44  0  0  0  0  0  0  0  0999 V2000
    2.6768   -1.0102    1.2117 C   0  0  0  0  0
    3.0736   -0.3483   -0.0961 C   0  0  0  0  0
    3.3606    1.0672    0.0684 N   0  0  0  0  0
    4.6089    1.5702    0.3303 C   0  0  0  0  0
    4.5059    2.9391    0.4073 C   0  0  0  0  0
    3.1452    3.2885    0.1818 C   0  0  0  0  0
    2.4598    4.5247    0.1396 C   0  0  0  0  0
    1.0934    4.5110   -0.1114 C   0  0  0  0  0
    0.4187    3.3088   -0.3164 C   0  0  0  0  0
   -1.0293    3.5358   -0.6023 C   0  0  0  0  0
   -1.1567    5.0488   -0.4183 C   0  0  0  0  0
    0.1934    5.5991   -0.2000 N   0  0  0  0  0
    0.5346    6.9430   -0.0579 C   0  0  0  0  0
    1.6813    7.3363    0.1353 O   0  0  0  0  0
   -0.5463    7.8043   -0.1629 N   0  0  0  0  0
   -0.5336    9.2139   -0.0838 C   0  0  0  0  0
    0.5883   10.0050    0.1446 C   0  0  0  0  0
    0.5616   11.3634    0.2115 N   0  0  0  0  0
   -0.6345   11.9614    0.0420 C   0  0  0  0  0
   -1.8088   11.2686   -0.1898 C   0  0  0  0  0
   -1.7534    9.8773   -0.2513 C   0  0  0  0  0
    1.0601    2.0739   -0.2828 C   0  0  0  0  0
    2.4411    2.0941   -0.0286 C   0  0  0  0  0
    2.4617   -2.0709    1.0503 H   0  0  0  0  0
    1.7846   -0.5417    1.6399 H   0  0  0  0  0
    3.4811   -0.9341    1.9512 H   0  0  0  0  0
    2.2797   -0.4517   -0.8430 H   0  0  0  0  0
    3.9709   -0.8239   -0.5081 H   0  0  0  0  0
    5.4663    0.9193    0.4416 H   0  0  0  0  0
    5.3205    3.6240    0.6035 H   0  0  0  0  0
    3.0089    5.4439    0.3031 H   0  0  0  0  0
   -1.2692    3.2457   -1.6306 H   0  0  0  0  0
   -1.6758    2.9929    0.0935 H   0  0  0  0  0
   -1.6109    5.5176   -1.2984 H   0  0  0  0  0
   -1.7718    5.2905    0.4569 H   0  0  0  0  0
   -1.4471    7.3895   -0.3203 H   0  0  0  0  0
    1.5789    9.5877    0.2897 H   0  0  0  0  0
   -0.6232   13.0461    0.0989 H   0  0  0  0  0
   -2.7456   11.7981   -0.3207 H   0  0  0  0  0
   -2.6708    9.3259   -0.4347 H   0  0  0  0  0
    0.5191    1.1500   -0.4490 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  5  2  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 22  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  2  0  0  0
 20 39  1  0  0  0
 21 40  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL148385

>  <PubChem CID>
9972439

>  <Formula>
C18H18N4O

>  <Molecular Weight>
306.369000

>  <IUPAC Name>
1-ethyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCN1C=CC2=CC3=C(CCN3C(=O)NC4=CN=CC=C4)C=C21

>  <Isomeric SMILES>
CCN1C=CC2=CC3=C(CCN3C(=O)NC4=CN=CC=C4)C=C21

>  <InChI Std. ID>
InChI=1S/C18H18N4O/c1-2-21-8-5-13-11-17-14(10-16(13)21)6-9-22(17)18(23)20-15-4-3-7-19-12-15/h3-5,7-8,10-12H,2,6,9H2,1H3,(H,20,23)

>  <InChI Key>
CBDICMXAVIEZAC-UHFFFAOYSA-N

