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A1DYN

Summary
Name:N-[(5-fluoropyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
Formula:C13 H10 F N5 O
Formal charge:0
Formula weight:271.25 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-[(5-fluoropyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
OpenEye OEToolkits3.1.0.0~{N}-[(5-fluoranylpyridin-2-yl)methyl]-7~{H}-pyrrolo[2,3-d]pyrimidine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Fc1ccc(nc1)CNC(=O)c1ncnc2[NH]ccc12
InChIInChI1.06InChI=1S/C13H10FN5O/c14-8-1-2-9(16-5-8)6-17-13(20)11-10-3-4-15-12(10)19-7-18-11/h1-5,7H,6H2,(H,17,20)(H,15,18,19)
InChIKeyInChI1.06WZYHTARYLKIKFH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(CNC(=O)c2ncnc3[nH]ccc23)nc1
SMILESCACTVS3.385Fc1ccc(CNC(=O)c2ncnc3[nH]ccc23)nc1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(ncc1F)CNC(=O)c2c3cc[nH]c3ncn2
SMILESOpenEye OEToolkits3.1.0.0c1cc(ncc1F)CNC(=O)c2c3cc[nH]c3ncn2

262513

PDB entries from 2026-11-04

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