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A1DVG

Summary
Name:N-[(4-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-[(4-fluoropyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
OpenEye OEToolkits3.1.0.0~{N}-[(4-fluoranylpyridin-2-yl)methyl]-7~{H}-pyrrolo[2,3-d]pyrimidine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Fc1cc(ncc1)CNC(=O)c1ncnc2[NH]ccc12
InChIInChI1.06InChI=1S/C13H10FN5O/c14-8-1-3-15-9(5-8)6-17-13(20)11-10-2-4-16-12(10)19-7-18-11/h1-5,7H,6H2,(H,17,20)(H,16,18,19)
InChIKeyInChI1.06NMRCLHCWHUVWOX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccnc(CNC(=O)c2ncnc3[nH]ccc23)c1
SMILESCACTVS3.385Fc1ccnc(CNC(=O)c2ncnc3[nH]ccc23)c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1c[nH]c2c1c(ncn2)C(=O)NCc3cc(ccn3)F
SMILESOpenEye OEToolkits3.1.0.0c1c[nH]c2c1c(ncn2)C(=O)NCc3cc(ccn3)F

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PDB entries from 2026-11-04

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