T67

?

Summary

Name:1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one
Formula:C14 H18 N4 O
Formal charge:0
Molecular weight:258.319 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one
OpenEye OEToolkits2.0.71-(4-methylpiperazin-1-yl)-2-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N1(CCN(CC1)C(=O)Cc2cnc3ncccc23)C
InChIInChI1.03InChI=1S/C14H18N4O/c1-17-5-7-18(8-6-17)13(19)9-11-10-16-14-12(11)3-2-4-15-14/h2-4,10H,5-9H2,1H3,(H,15,16)
InChIKeyInChI1.03XAAUHRXDRLNFFL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1CCN(CC1)C(=O)Cc2c[nH]c3ncccc23
SMILESCACTVS3.385CN1CCN(CC1)C(=O)Cc2c[nH]c3ncccc23
SMILES_CANONICALOpenEye OEToolkits2.0.7CN1CCN(CC1)C(=O)Cc2c[nH]c3c2cccn3
SMILESOpenEye OEToolkits2.0.7CN1CCN(CC1)C(=O)Cc2c[nH]c3c2cccn3
170172
PDB entries from 2020-10-21