(2S)-2-[[6-(4-methylpiperidin-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-methylpiperidin-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-methylpiperidine-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-methyl-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-methylpiperidine-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-methylpiperidine-1-carbonyl)-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propionamide Formula: C22H25F3N8O2 MolecularWeight: 490.48151

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC(=NC(=N2)C3=CNC4=NC=NC=C34)NC(C)C(=O)NCC(F)(F)F

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC(=NC(=N2)C3=CNC4=NC=NC=C34)N[C@@H](C)C(=O)NCC(F)(F)F

InChI

InChI=1S/C22H25F3N8O2/c1-12-3-5-33(6-4-12)21(35)16-7-17(30-13(2)20(34)28-10-22(23,24)25)32-19(31-16)15-9-27-18-14(15)8-26-11-29-18/h7-9,11-13H,3-6,10H2,1-2H3,(H,28,34)(H,26,27,29)(H,30,31,32)/t13-/m0/s1