1-[4-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-ethyl-pyrrolidin-1-yl]-5-chloranyl-pyrimidin-2-yl]piperidin-4-ol

Systemtic Name: 1-[4-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-ethyl-pyrrolidin-1-yl]-5-chloranyl-pyrimidin-2-yl]piperidin-4-ol Openeye Name: 1-[4-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-ethyl-pyrrolidin-1-yl]-5-chloro-pyrimidin-2-yl]piperidin-4-ol CAS Name: 1-[4-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1-methyl-4-pyrazolyl)-2-pyrimidinyl]amino]-2-ethyl-1-pyrrolidinyl]-5-chloro-2-pyrimidinyl]-4-piperidinol IUPAC Name: 1-[4-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-ethylpyrrolidin-1-yl]-5-chloropyrimidin-2-yl]piperidin-4-ol Traditional Name: 1-[4-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)benzyl]-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-ethyl-pyrrolidino]-5-chloro-pyrimidin-2-yl]piperidin-4-ol Formula: C32H34ClF6N9O MolecularWeight: 710.115479

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CN1C2=NC(=NC=C2Cl)N3CCC(CC3)O)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NC=C(C=N5)C6=CN(N=C6)C

Isomeric SMILES

CC[C@@H]1C[C@@H](CN1C2=NC(=NC=C2Cl)N3CCC(CC3)O)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NC=C(C=N5)C6=CN(N=C6)C

InChI

InChI=1S/C32H34ClF6N9O/c1-3-24-11-25(18-47(24)28-27(33)15-42-30(44-28)46-6-4-26(49)5-7-46)48(29-40-12-20(13-41-29)21-14-43-45(2)17-21)16-19-8-22(31(34,35)36)10-23(9-19)32(37,38)39/h8-10,12-15,17,24-26,49H,3-7,11,16,18H2,1-2H3/t24-,25+/m1/s1