
 SCHEMBL15578761

 51 55  0  0  0  0  0  0  0  0999 V2000
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    5.5087   -0.9028    8.8290 C   0  0  0  0  0
    4.7815   -2.0130    8.6468 N   0  0  0  0  0
    5.1206    0.9683    5.7996 N   0  0  0  0  0
    5.8461    2.1310    5.9275 C   0  0  0  0  0
    5.5793    2.9146    4.8228 C   0  0  0  0  0
    4.7272    2.1061    4.0437 C   0  0  0  0  0
    4.4411    0.9360    4.6187 N   0  0  0  0  0
    6.1048    4.2502    4.5833 C   0  0  0  0  0
    7.1807    4.5933    5.0611 O   0  0  0  0  0
    5.2442    5.0504    3.8530 N   0  0  0  0  0
    5.4428    6.3961    3.4797 C   0  0  0  0  0
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    4.8518   10.9360    1.3448 O   0  0  0  0  0
    2.9105   -5.3684    8.1888 H   0  0  0  0  0
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    6.3534   11.2220    4.3814 H   0  0  0  0  0
    4.6189   11.2769    4.0593 H   0  0  0  0  0
    5.4532   13.4475    4.1366 H   0  0  0  0  0
    3.7505   13.1169    2.5760 H   0  0  0  0  0
    4.9172   14.2748    1.9200 H   0  0  0  0  0
    4.2453   12.5443    0.2294 H   0  0  0  0  0
    5.9837   12.4793    0.5477 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL15578761

>  <PubChem CID>
73442505

>  <Formula>
C21H22N6O2

>  <Molecular Weight>
390.447000

>  <IUPAC Name>
1-(6-cyclopropylpyrimidin-4-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1C2=CC(=NC=N2)N3C=C(C=N3)C(=O)NC4=CC=C(C=C4)C5CNCCO5

>  <Isomeric SMILES>
C1CC1C2=CC(=NC=N2)N3C=C(C=N3)C(=O)NC4=CC=C(C=C4)[C@H]5CNCCO5

>  <InChI Std. ID>
InChI=1S/C21H22N6O2/c28-21(26-17-5-3-15(4-6-17)19-11-22-7-8-29-19)16-10-25-27(12-16)20-9-18(14-1-2-14)23-13-24-20/h3-6,9-10,12-14,19,22H,1-2,7-8,11H2,(H,26,28)/t19-/m1/s1

>  <InChI Key>
AVLAZSACGWVQTL-LJQANCHMSA-N

