About (3-chloro-4-fluorophenyl)-[4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,3,3,6,6-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[3,3,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,3,3,6,6-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[3,3,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone (PubChem CID 160553661) has the molecular formula C141H156Cl7F14N21O7
and a molecular weight of 2813.34 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-[4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,3,3,6,6-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[3,3,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone.
Frequently Asked Questions
What is the IUPAC name of (3-chloro-4-fluorophenyl)-[4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,3,3,6,6-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[3,3,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-[4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,3,3,6,6-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[3,3,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone (CID 160553661) is (3-chloro-4-fluorophenyl)-[4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,3,3,6,6-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[3,3,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-[4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,3,3,6,6-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[3,3,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-[4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,3,3,6,6-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[3,3,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone is [2H]C([2H])(C)c1cnc(C([2H])([2H])CC([2H])([2H])C2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1.[2H]C([2H])(CCc1ncc(C)cn1)C1(F)C([2H])([2H])CN(C(=O)c2ccc(F)c(Cl)c2)CC1([2H])[2H].[2H]C1([2H])CC(F)(C([2H])([2H])CCc2ncc(C)cn2)C([2H])([2H])CN1C(=O)c1ccc(F)c(Cl)c1.[2H]C1([2H])CC(F)(CCCc2ncc(C)cn2)C([2H])([2H])C([2H])([2H])N1C(=O)c1ccc(F)c(Cl)c1.[2H]C1([2H])CC(F)(CCCc2ncc(C)cn2)C([2H])([2H])C([2H])([2H])N1C(=O)c1ccc(F)c(Cl)c1.[2H]C1([2H])CN(C(=O)c2ccc(F)c(Cl)c2)C([2H])([2H])C([2H])([2H])C1(F)CCCc1ncc(C)cn1.[2H]C1([2H])CN(C(=O)c2ccc(F)c(Cl)c2)C([2H])([2H])C([2H])([2H])C1(F)CCCc1ncc(C)cn1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-[4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,3,3,6,6-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[3,3,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone?
The InChIKey is QYJZETACRDWOEB-BDYRDUPNSA-N. The full InChI is InChI=1S/C21H24ClF2N3O.6C20H22ClF2N3O/c1-2-15-13-25-19(26-14-15)4-3-7-21(24)8-10-27(11-9-21)20(28)16-5-6-18(23)17(22)12-16;6*1-14-12-24-18(25-13-14)3-2-6-20(23)7-9-26(10-8-20)19(27)15-4-5-17(22)16(21)11-15/h5-6,12-14H,2-4,7-11H2,1H3;6*4-5,11-13H,2-3,6-10H2,1H3/i2D2,4D2,7D2;2*7D2,9D2,10D2;2*7D2,8D2,9D2;6D2,7D2,10D2;6D2,7D2,8D2.
What are the key properties of (3-chloro-4-fluorophenyl)-[4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,3,3,6,6-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[3,3,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone?
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,3,3,6,6-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[3,3,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone has a molecular weight of 2813.34 g/mol, XLogP of 32.07, 36 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-[4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,3,3,6,6-hexadeuterio-4-fluoro-4-[3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[3,3,5,5-tetradeuterio-4-[1,1-dideuterio-3-(5-methylpyrimidin-2-yl)propyl]-4-fluoropiperidin-1-yl]methanone is sourced from PubChem (CID 160553661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).