N-[4-[(3S)-3-azanylpiperidin-1-yl]-5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide

Systemtic Name: N-[4-[(3S)-3-azanylpiperidin-1-yl]-5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide Openeye Name: N-[4-[(3S)-3-amino-1-piperidyl]-5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide CAS Name: N-[4-[(3S)-3-amino-1-piperidinyl]-5-(ethylthio)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide IUPAC Name: N-[4-[(3S)-3-aminopiperidin-1-yl]-5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide Traditional Name: N-[4-[(3S)-3-aminopiperidino]-5-(ethylthio)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CN=C2C(=C1N3CCCC(C3)N)C(=CN2)NC(=O)C4CC4

Isomeric SMILES

CCSC1=CN=C2C(=C1N3CCC[C@@H](C3)N)C(=CN2)NC(=O)C4CC4

InChI

InChI=1S/C18H25N5OS/c1-2-25-14-9-21-17-15(16(14)23-7-3-4-12(19)10-23)13(8-20-17)22-18(24)11-5-6-11/h8-9,11-12H,2-7,10,19H2,1H3,(H,20,21)(H,22,24)/t12-/m0/s1