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SW5

Summary
Name:3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
Formula:C22 H22 F N5
Formal charge:0
Formula weight:375.442 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C22H22FN5/c23-19-3-1-15(2-4-19)9-17-12-26-22-21(17)10-16(11-25-22)18-13-27-28(14-18)20-5-7-24-8-6-20/h1-4,10-14,20,24H,5-9H2,(H,25,26)
InChIKeyInChI1.03YNHYKEIIJAKBHQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5)cc1
SMILESCACTVS3.385Fc1ccc(Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F

223532

数据于2024-08-07公开中

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