Chemical Component Summary

Name(3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
Identifiers(3~{S})-3-cyclopentyl-3-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
FormulaC17 H18 N6
Molecular Weight306.365
TypeNON-POLYMER
Isomeric SMILESc1c[nH]c2c1c(ncn2)c3cnn(c3)[C@@H](CC#N)C4CCCC4
InChIInChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m0/s1
InChIKeyHFNKQEVNSGCOJV-HNNXBMFYSA-N

Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count1
Bond Count44
Aromatic Bond Count15

Related Resource References

Resource NameReference
Pharos CHEMBL1287854
PubChem 50878566
ChEMBL CHEMBL1287854