bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-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)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone

C145H164Cl7F14N21O7 — CID 162262979

IUPACbis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-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)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone
SMILES[2H]C([2H])(C)c1cnc(C([2H])([2H])CC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2)nc1.[2H]C([2H])(C)c1cnc(C([2H])([2H])CC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)CC2([2H])[2H])nc1.[2H]C([2H])(C)c1cnc(C([2H])([2H])CC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)CC2([2H])[2H])nc1.[2H]C([2H])(C)c1cnc(C([2H])([2H])CC([2H])([2H])C2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2([2H])[2H])nc1.[2H]C([2H])(C)c1cnc(CCCC2(F)C([2H])([2H])C([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2([2H])[2H])nc1.[2H]C([2H])(CC([2H])([2H])C1(F)C([2H])([2H])CN(C(=O)c2ccc(F)c(Cl)c2)C([2H])([2H])C1([2H])[2H])c1ncc(C)cn1.[2H]C([2H])(CC([2H])([2H])C1(F)C([2H])([2H])CN(C(=O)c2ccc(F)c(Cl)c2)C([2H])([2H])C1([2H])[2H])c1ncc(C)cn1
InChIInChI=1S/5C21H24ClF2N3O.2C20H22ClF2N3O/c5*1-2-15-13-25-19(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;2*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*5-6,12-14H,2-4,7-11H2,1H3;2*4-5,11-13H,2-3,6-10H2,1H3/i2D2,8D2,9D2,10D2,11D2;2D2,4D2,7D2,10D2,11D2;2*2D2,4D2,7D2,8D2,11D2;2D2,4D2,7D2,8D2,10D2;2*3D2,6D2,7D2,8D2,9D2
InChIKeyZZMUVOVIIYDTTE-HQGYMGGXSA-N
MW2897.62 g/mol
LogP33.08
Rot. Bonds40

About bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-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)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-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-[1,1,3,3-tetradeuterio-3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-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)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone (PubChem CID 162262979) has the molecular formula C145H164Cl7F14N21O7 and a molecular weight of 2897.62 g/mol. Its IUPAC name is bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-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)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namebis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-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)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone
PubChem CID162262979
Molecular FormulaC145H164Cl7F14N21O7
Molecular Weight2897.62 g/mol
Exact Mass2892.51
IUPAC Namebis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-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)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone
SMILES[2H]C([2H])(C)c1cnc(C([2H])([2H])CC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2)nc1.[2H]C([2H])(C)c1cnc(C([2H])([2H])CC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)CC2([2H])[2H])nc1.[2H]C([2H])(C)c1cnc(C([2H])([2H])CC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)CC2([2H])[2H])nc1.[2H]C([2H])(C)c1cnc(C([2H])([2H])CC([2H])([2H])C2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2([2H])[2H])nc1.[2H]C([2H])(C)c1cnc(CCCC2(F)C([2H])([2H])C([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2([2H])[2H])nc1.[2H]C([2H])(CC([2H])([2H])C1(F)C([2H])([2H])CN(C(=O)c2ccc(F)c(Cl)c2)C([2H])([2H])C1([2H])[2H])c1ncc(C)cn1.[2H]C([2H])(CC([2H])([2H])C1(F)C([2H])([2H])CN(C(=O)c2ccc(F)c(Cl)c2)C([2H])([2H])C1([2H])[2H])c1ncc(C)cn1
InChIInChI=1S/5C21H24ClF2N3O.2C20H22ClF2N3O/c5*1-2-15-13-25-19(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;2*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*5-6,12-14H,2-4,7-11H2,1H3;2*4-5,11-13H,2-3,6-10H2,1H3/i2D2,8D2,9D2,10D2,11D2;2D2,4D2,7D2,10D2,11D2;2*2D2,4D2,7D2,8D2,11D2;2D2,4D2,7D2,8D2,10D2;2*3D2,6D2,7D2,8D2,9D2
InChIKeyZZMUVOVIIYDTTE-HQGYMGGXSA-N
XLogP33.08
TPSA322.63 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds40
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002897.62
LogP ≤ 533.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-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)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-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)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone?
The IUPAC name of bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-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)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone (CID 162262979) is bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-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)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone.
What is the SMILES notation for bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-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)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone?
The canonical SMILES for bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-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)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone is [2H]C([2H])(C)c1cnc(C([2H])([2H])CC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2)nc1.[2H]C([2H])(C)c1cnc(C([2H])([2H])CC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)CC2([2H])[2H])nc1.[2H]C([2H])(C)c1cnc(C([2H])([2H])CC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)CC2([2H])[2H])nc1.[2H]C([2H])(C)c1cnc(C([2H])([2H])CC([2H])([2H])C2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2([2H])[2H])nc1.[2H]C([2H])(C)c1cnc(CCCC2(F)C([2H])([2H])C([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2([2H])[2H])nc1.[2H]C([2H])(CC([2H])([2H])C1(F)C([2H])([2H])CN(C(=O)c2ccc(F)c(Cl)c2)C([2H])([2H])C1([2H])[2H])c1ncc(C)cn1.[2H]C([2H])(CC([2H])([2H])C1(F)C([2H])([2H])CN(C(=O)c2ccc(F)c(Cl)c2)C([2H])([2H])C1([2H])[2H])c1ncc(C)cn1.
What is the InChIKey of bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-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)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone?
The InChIKey is ZZMUVOVIIYDTTE-HQGYMGGXSA-N. The full InChI is InChI=1S/5C21H24ClF2N3O.2C20H22ClF2N3O/c5*1-2-15-13-25-19(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;2*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*5-6,12-14H,2-4,7-11H2,1H3;2*4-5,11-13H,2-3,6-10H2,1H3/i2D2,8D2,9D2,10D2,11D2;2D2,4D2,7D2,10D2,11D2;2*2D2,4D2,7D2,8D2,11D2;2D2,4D2,7D2,8D2,10D2;2*3D2,6D2,7D2,8D2,9D2.
What are the key properties of bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-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)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-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-[1,1,3,3-tetradeuterio-3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-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)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone has a molecular weight of 2897.62 g/mol, XLogP of 33.08, 40 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3-chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-(5-methylpyrimidin-2-yl)propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-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)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methanone is sourced from PubChem (CID 162262979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).