(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone

C131H148Cl6F12N12O6 — CID 157418984

IUPAC(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone
SMILES[2H]C([2H])(C)c1ccc(CCC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2)nc1.[2H]C([2H])(C)c1ccc(CCC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)CC2([2H])[2H])nc1.[2H]C([2H])(C)c1ccc(CCC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)CC2([2H])[2H])nc1.[2H]C([2H])(C)c1ccc(CCC([2H])([2H])C2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2([2H])[2H])nc1.[2H]C([2H])(C)c1ccc(CCC([2H])([2H])C2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2([2H])[2H])nc1.[2H]C([2H])(CCc1ccc(C)cn1)C1(F)C([2H])([2H])C([2H])([2H])N(C(=O)c2ccc(F)c(Cl)c2)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/5C22H25ClF2N2O.C21H23ClF2N2O/c5*1-2-16-5-7-18(26-15-16)4-3-9-22(25)10-12-27(13-11-22)21(28)17-6-8-20(24)19(23)14-17;1-15-4-6-17(25-14-15)3-2-8-21(24)9-11-26(12-10-21)20(27)16-5-7-19(23)18(22)13-16/h5*5-8,14-15H,2-4,9-13H2,1H3;4-7,13-14H,2-3,8-12H2,1H3/i2D2,9D2,12D2,13D2;2*2D2,9D2,10D2,13D2;2*2D2,9D2,10D2,12D2;8D2,9D2,10D2,11D2,12D2
InChIKeyBPELVJUMFFLYEG-RQDBMFSSSA-N
MW2477.70 g/mol
LogP32.17
Rot. Bonds35

About (3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone

(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone (PubChem CID 157418984) has the molecular formula C131H148Cl6F12N12O6 and a molecular weight of 2477.70 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone
PubChem CID157418984
Molecular FormulaC131H148Cl6F12N12O6
Molecular Weight2477.70 g/mol
Exact Mass2473.27
IUPAC Name(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone
SMILES[2H]C([2H])(C)c1ccc(CCC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2)nc1.[2H]C([2H])(C)c1ccc(CCC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)CC2([2H])[2H])nc1.[2H]C([2H])(C)c1ccc(CCC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)CC2([2H])[2H])nc1.[2H]C([2H])(C)c1ccc(CCC([2H])([2H])C2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2([2H])[2H])nc1.[2H]C([2H])(C)c1ccc(CCC([2H])([2H])C2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2([2H])[2H])nc1.[2H]C([2H])(CCc1ccc(C)cn1)C1(F)C([2H])([2H])C([2H])([2H])N(C(=O)c2ccc(F)c(Cl)c2)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/5C22H25ClF2N2O.C21H23ClF2N2O/c5*1-2-16-5-7-18(26-15-16)4-3-9-22(25)10-12-27(13-11-22)21(28)17-6-8-20(24)19(23)14-17;1-15-4-6-17(25-14-15)3-2-8-21(24)9-11-26(12-10-21)20(27)16-5-7-19(23)18(22)13-16/h5*5-8,14-15H,2-4,9-13H2,1H3;4-7,13-14H,2-3,8-12H2,1H3/i2D2,9D2,12D2,13D2;2*2D2,9D2,10D2,13D2;2*2D2,9D2,10D2,12D2;8D2,9D2,10D2,11D2,12D2
InChIKeyBPELVJUMFFLYEG-RQDBMFSSSA-N
XLogP32.17
TPSA199.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds35
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002477.70
LogP ≤ 532.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze (3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

N-tert-butyl-5-[2-(5-chloro-3-pyridinyl)ethynyl]-N,3-dimethylpyridine-2-carboxamide;N-tert-butyl-5-[2-(5-chloro-3-pyridinyl)ethynyl]-3-fluoro-N-methylpyridine-2-carboxamide;5-[2-(5-chloro-3-pyridinyl)ethynyl]-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
CID 89157261
N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide
CID 89397374
N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-N'-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dipyridin-2-ylbutanediamide
CID 89397375
N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123232907
N-[(1R)-1-(5-chloro-2-pyridinyl)-2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123620591
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;bis(4-(1,1-difluoroethyl)-3-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide)
CID 123994544
[(2R)-2-[(4-chlorophenyl)methyl]-4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]piperazin-1-yl]-[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]methanone;tetrahydrochloride
CID 140497458
N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 157366799
3-chloro-N-(6-chloro-3-pyridinyl)benzamide;6-chloro-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide;N-(6-chloro-3-pyridinyl)-3,4-difluorobenzamide;N-(6-chloro-3-pyridinyl)-4-phenylbenzamide;N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzamide;3,4-dichloro-N-(6-chloro-3-pyridinyl)benzamide;3,4-dichloro-N-pyridin-3-ylbenzamide;3,4-difluoro-N-(6-methyl-3-pyridinyl)benzamide
CID 157641087
bis(N-[3-[(5-chloro-3-pyridinyl)-methylamino]phenyl]-3-methylbenzamide);3-ethynyl-N-[3-fluoro-5-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)-methylamino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide
CID 157714396
4-[5-(3-aminobut-3-en-2-yl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
CID 157774169
N-[(1S)-1-(5-chloro-2-pyridinyl)-2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane
CID 157789497

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone (CID 157418984) is (3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone is [2H]C([2H])(C)c1ccc(CCC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2)nc1.[2H]C([2H])(C)c1ccc(CCC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)CC2([2H])[2H])nc1.[2H]C([2H])(C)c1ccc(CCC([2H])([2H])C2(F)CC([2H])([2H])N(C(=O)c3ccc(F)c(Cl)c3)CC2([2H])[2H])nc1.[2H]C([2H])(C)c1ccc(CCC([2H])([2H])C2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2([2H])[2H])nc1.[2H]C([2H])(C)c1ccc(CCC([2H])([2H])C2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)C([2H])([2H])C2([2H])[2H])nc1.[2H]C([2H])(CCc1ccc(C)cn1)C1(F)C([2H])([2H])C([2H])([2H])N(C(=O)c2ccc(F)c(Cl)c2)C([2H])([2H])C1([2H])[2H].
What is the InChIKey of (3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone?
The InChIKey is BPELVJUMFFLYEG-RQDBMFSSSA-N. The full InChI is InChI=1S/5C22H25ClF2N2O.C21H23ClF2N2O/c5*1-2-16-5-7-18(26-15-16)4-3-9-22(25)10-12-27(13-11-22)21(28)17-6-8-20(24)19(23)14-17;1-15-4-6-17(25-14-15)3-2-8-21(24)9-11-26(12-10-21)20(27)16-5-7-19(23)18(22)13-16/h5*5-8,14-15H,2-4,9-13H2,1H3;4-7,13-14H,2-3,8-12H2,1H3/i2D2,9D2,12D2,13D2;2*2D2,9D2,10D2,13D2;2*2D2,9D2,10D2,12D2;8D2,9D2,10D2,11D2,12D2.
What are the key properties of (3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone?
(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone has a molecular weight of 2477.70 g/mol, XLogP of 32.17, 35 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone is sourced from PubChem (CID 157418984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).