(2S)-2-[[6-(4-oxidanylpiperidin-1-yl)carbonyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]propanamide

Systemtic Name: (2S)-2-[[6-(4-oxidanylpiperidin-1-yl)carbonyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]propanamide Openeye Name: (2S)-2-[[6-(4-hydroxypiperidine-1-carbonyl)-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide CAS Name: (2S)-2-[[6-[(4-hydroxy-1-piperidinyl)-oxomethyl]-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-pyrimidinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide IUPAC Name: (2S)-2-[[6-(4-hydroxypiperidine-1-carbonyl)-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide Traditional Name: (2S)-2-[[6-(4-hydroxypiperidine-1-carbonyl)-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propionamide Formula: C21H23F3N8O3 MolecularWeight: 492.45433

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(F)(F)F)NC1=NC(=NC(=C1)C(=O)N2CCC(CC2)O)C3=CNC4=NC=NC=C34

Isomeric SMILES

C[C@@H](C(=O)NCC(F)(F)F)NC1=NC(=NC(=C1)C(=O)N2CCC(CC2)O)C3=CNC4=NC=NC=C34

InChI

InChI=1S/C21H23F3N8O3/c1-11(19(34)27-9-21(22,23)24)29-16-6-15(20(35)32-4-2-12(33)3-5-32)30-18(31-16)14-8-26-17-13(14)7-25-10-28-17/h6-8,10-12,33H,2-5,9H2,1H3,(H,27,34)(H,25,26,28)(H,29,30,31)/t11-/m0/s1