
 2-[4-(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-(3-pyridinyl)-5-(2-pyridinylcarbamoyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester

 72 77  0  0  0  0  0  0  0  0999 V2000
    3.2426   -0.5021   -2.0921 C   0  0  0  0  0
    2.7371    0.0337   -0.7662 C   0  0  0  0  0
    3.1141    1.4078   -0.6282 O   0  0  0  0  0
    4.3027    1.6609   -0.0250 C   0  0  0  0  0
    5.0773    0.8444    0.4463 O   0  0  0  0  0
    4.5837    3.1074   -0.1318 C   0  0  0  0  0
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    3.9909    5.3925    0.0309 N   0  0  0  0  0
    5.1695    5.8537   -0.5315 C   0  0  0  0  0
    6.1254    4.9711   -0.8893 C   0  0  0  0  0
    5.8837    3.4666   -0.8494 C   0  0  0  0  0
    5.9081    2.8406   -2.2407 C   0  0  0  0  0
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    6.6833    1.7063   -2.5088 C   0  0  0  0  0
    7.4802    5.4315   -1.2781 C   0  0  0  0  0
    7.8665    5.3155   -2.4407 O   0  0  0  0  0
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    8.1367    6.1908    1.0191 C   0  0  0  0  0
    9.0104    7.0533    1.6746 C   0  0  0  0  0
    8.8699    7.2474    3.0485 C   0  0  0  0  0
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    7.0640    5.7102    3.0106 C   0  0  0  0  0
    7.1827    5.5100    1.6799 N   0  0  0  0  0
    5.2897    7.3474   -0.6831 C   0  0  0  0  0
    2.5227    3.7946    1.1314 C   0  0  0  0  0
    1.3323    4.4698    0.8393 C   0  0  0  0  0
    0.1955    4.2986    1.6337 C   0  0  0  0  0
    0.2084    3.4165    2.7215 C   0  0  0  0  0
    1.3908    2.7318    3.0181 C   0  0  0  0  0
    2.5411    2.9374    2.2414 C   0  0  0  0  0
   -0.9733    3.2453    3.5076 N   0  0  0  0  0
   -1.0666    3.0241    4.8845 C   0  0  0  0  0
   -2.3227    3.0064    5.2879 N   0  0  0  0  0
   -3.0848    3.1971    4.1702 C   0  0  0  0  0
   -2.2855    3.3159    3.0368 C   0  0  0  0  0
   -2.8623    3.4212    1.7632 C   0  0  0  0  0
   -4.2485    3.4845    1.7337 C   0  0  0  0  0
   -5.0483    3.4256    2.8191 N   0  0  0  0  0
   -4.4758    3.2668    4.0401 C   0  0  0  0  0
    0.0742    2.9486    5.8368 C   0  0  0  0  0
    2.8603   -1.5100   -2.2757 H   0  0  0  0  0
    4.3362   -0.5370   -2.1043 H   0  0  0  0  0
    2.9343    0.1494   -2.9168 H   0  0  0  0  0
    3.0921   -0.5711    0.0744 H   0  0  0  0  0
    1.6424    0.0028   -0.7514 H   0  0  0  0  0
    3.4337    6.0806    0.5334 H   0  0  0  0  0
    6.7049    3.0381   -0.2576 H   0  0  0  0  0
    4.4703    4.1914   -3.1423 H   0  0  0  0  0
    5.7442    1.2601   -5.7258 H   0  0  0  0  0
    7.2291    0.2396   -3.9980 H   0  0  0  0  0
    7.3101    1.2666   -1.7363 H   0  0  0  0  0
    9.1136    6.4481   -0.7866 H   0  0  0  0  0
    9.7789    7.5956    1.1344 H   0  0  0  0  0
    9.5295    7.9304    3.5767 H   0  0  0  0  0
    7.7327    6.6955    4.8003 H   0  0  0  0  0
    6.2695    5.1471    3.4924 H   0  0  0  0  0
    4.3372    7.7679   -1.0260 H   0  0  0  0  0
    6.0374    7.6339   -1.4292 H   0  0  0  0  0
    5.5439    7.8161    0.2718 H   0  0  0  0  0
    1.2807    5.1498   -0.0088 H   0  0  0  0  0
   -0.6727    4.9092    1.4015 H   0  0  0  0  0
    1.4506    2.0007    3.8175 H   0  0  0  0  0
    3.4523    2.4086    2.5186 H   0  0  0  0  0
   -2.2875    3.4403    0.8466 H   0  0  0  0  0
   -4.7727    3.5843    0.7860 H   0  0  0  0  0
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    0.8449    3.6913    5.6141 H   0  0  0  0  0
    0.5121    1.9464    5.8378 H   0  0  0  0  0
   -0.2777    3.1471    6.8554 H   0  0  0  0  0
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M  END

>  <Chemical Name>
2-[4-(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-(3-pyridinyl)-5-(2-pyridinylcarbamoyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester

>  <PubChem CID>
15005377

>  <Formula>
C33H29N7O3

>  <Molecular Weight>
571.641000

>  <IUPAC Name>
ethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C(=O)NC3=CC=CC=N3)C)C4=CC=C(C=C4)N5C(=NC6=C5C=CN=C6)C

>  <Isomeric SMILES>
CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C(=O)NC3=CC=CC=N3)C)C4=CC=C(C=C4)N5C(=NC6=C5C=CN=C6)C

>  <InChI Std. ID>
InChI=1S/C33H29N7O3/c1-4-43-33(42)30-29(23-8-7-15-34-18-23)28(32(41)39-27-9-5-6-16-36-27)20(2)37-31(30)22-10-12-24(13-11-22)40-21(3)38-25-19-35-17-14-26(25)40/h5-19,29,37H,4H2,1-3H3,(H,36,39,41)

>  <InChI Key>
DWHIMPDZZGCBEM-UHFFFAOYSA-N

