20A

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Summary

Name:1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
Synonyms:N-benzyl-1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
Formula:C21 H25 N5 O2
Formal charge:0
Molecular weight:379.456 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-benzyl-1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
OpenEye OEToolkits1.5.01-ethyl-4-(oxan-4-ylamino)-N-(phenylmethyl)pyrazolo[4,5-e]pyridine-5-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NCc1ccccc1)c2c(c3c(nc2)n(nc3)CC)NC4CCOCC4
SMILES_CANONICALCACTVS3.341CCn1ncc2c(NC3CCOCC3)c(cnc12)C(=O)NCc4ccccc4
SMILESCACTVS3.341CCn1ncc2c(NC3CCOCC3)c(cnc12)C(=O)NCc4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0CCn1c2c(cn1)c(c(cn2)C(=O)NCc3ccccc3)NC4CCOCC4
SMILESOpenEye OEToolkits1.5.0CCn1c2c(cn1)c(c(cn2)C(=O)NCc3ccccc3)NC4CCOCC4
InChIInChI1.03InChI=1S/C21H25N5O2/c1-2-26-20-17(14-24-26)19(25-16-8-10-28-11-9-16)18(13-22-20)21(27)23-12-15-6-4-3-5-7-15/h3-7,13-14,16H,2,8-12H2,1H3,(H,22,25)(H,23,27)
InChIKeyInChI1.03QZGJNFBMYYEFGM-UHFFFAOYSA-N
167132
PDB entries from 2020-07-29