FD9

(2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide

Created: 2015-02-27
Last modified:  2015-04-22

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Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count1
Bond Count63
Aromatic Bond Count21
2D diagram of FD9
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Chemical Component Summary

Name(2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
Systematic Name (OpenEye OEToolkits)(2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
FormulaC26 H25 N5 O3
Molecular Weight455.508
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Cc1onc(C)c1Cn2cc(C#N)c3cc(Oc4ccc(NC(=O)[CH]5CCCN5)cc4)ccc23
SMILESOpenEye OEToolkits1.7.6Cc1c(c(on1)C)Cn2cc(c3c2ccc(c3)Oc4ccc(cc4)NC(=O)C5CCCN5)C#N
Canonical SMILESCACTVS3.385 Cc1onc(C)c1Cn2cc(C#N)c3cc(Oc4ccc(NC(=O)[C@@H]5CCCN5)cc4)ccc23
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1c(c(on1)C)Cn2cc(c3c2ccc(c3)Oc4ccc(cc4)NC(=O)[C@@H]5CCCN5)C#N
InChIInChI1.03 InChI=1S/C26H25N5O3/c1-16-23(17(2)34-30-16)15-31-14-18(13-27)22-12-21(9-10-25(22)31)33-20-7-5-19(6-8-20)29-26(32)24-4-3-11-28-24/h5-10,12,14,24,28H,3-4,11,15H2,1-2H3,(H,29,32)/t24-/m0/s1
InChIKeyInChI1.03 NDIKFKQBWGMLCA-DEOSSOPVSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3422676
PubChem 91668554
ChEMBL CHEMBL3422676