4-azanyl-N-[(6-chloranylpyridin-3-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Systemtic Name: 4-azanyl-N-[(6-chloranylpyridin-3-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Openeye Name: 4-amino-N-[(6-chloro-3-pyridyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide CAS Name: 4-amino-N-[(6-chloro-3-pyridinyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxamide IUPAC Name: 4-amino-N-[(6-chloropyridin-3-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Traditional Name: 4-amino-N-[(6-chloro-3-pyridyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)isonipecotamide Formula: C18H20ClN7O MolecularWeight: 385.8507

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)NCC2=CN=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4

Isomeric SMILES

C1CN(CCC1(C(=O)NCC2=CN=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4

InChI

InChI=1S/C18H20ClN7O/c19-14-2-1-12(9-22-14)10-23-17(27)18(20)4-7-26(8-5-18)16-13-3-6-21-15(13)24-11-25-16/h1-3,6,9,11H,4-5,7-8,10,20H2,(H,23,27)(H,21,24,25)