1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

C134H151N21O9 — CID 159012417

IUPAC1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESC.Cc1ccc(C2(c3nnc4c(C([13CH3])([13CH3])O)cccn34)CC2)cc1.Cc1ccc(C2(c3nnc4c(C([14CH3])([14CH3])O)cccn34)CC2)cc1.Cc1ccc(C2(c3nnc4c([14C](C)(C)O)cccn34)CC2)cc1.[2H]C([2H])(O)C(C)(O)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12.[2H]C([2H])([2H])C(C)(O)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12.[2H][13C]([2H])(O)C(C)(O)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12.[2H][13C]([2H])([2H])C(C)(O)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12
InChIInChI=1S/2C19H21N3O2.5C19H21N3O.CH4/c2*1-13-5-7-14(8-6-13)19(9-10-19)17-21-20-16-15(18(2,24)12-23)4-3-11-22(16)17;5*1-13-6-8-14(9-7-13)19(10-11-19)17-21-20-16-15(18(2,3)23)5-4-12-22(16)17;/h2*3-8,11,23-24H,9-10,12H2,1-2H3;5*4-9,12,23H,10-11H2,1-3H3;1H4/i12+1D2;12D2;2+2,3+2;2+1,3+1;18+2;2+1D3;2D3;
InChIKeyJSQVNYWROUFZFS-KFXGSEJZSA-N
MW2219.83 g/mol
LogP22.00
Rot. Bonds25

About 1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 159012417) has the molecular formula C134H151N21O9 and a molecular weight of 2219.83 g/mol. Its IUPAC name is 1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

Molecular Properties

Compound Name1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
PubChem CID159012417
Molecular FormulaC134H151N21O9
Molecular Weight2219.83 g/mol
Exact Mass2218.29
IUPAC Name1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESC.Cc1ccc(C2(c3nnc4c(C([13CH3])([13CH3])O)cccn34)CC2)cc1.Cc1ccc(C2(c3nnc4c(C([14CH3])([14CH3])O)cccn34)CC2)cc1.Cc1ccc(C2(c3nnc4c([14C](C)(C)O)cccn34)CC2)cc1.[2H]C([2H])(O)C(C)(O)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12.[2H]C([2H])([2H])C(C)(O)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12.[2H][13C]([2H])(O)C(C)(O)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12.[2H][13C]([2H])([2H])C(C)(O)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12
InChIInChI=1S/2C19H21N3O2.5C19H21N3O.CH4/c2*1-13-5-7-14(8-6-13)19(9-10-19)17-21-20-16-15(18(2,24)12-23)4-3-11-22(16)17;5*1-13-6-8-14(9-7-13)19(10-11-19)17-21-20-16-15(18(2,3)23)5-4-12-22(16)17;/h2*3-8,11,23-24H,9-10,12H2,1-2H3;5*4-9,12,23H,10-11H2,1-3H3;1H4/i12+1D2;12D2;2+2,3+2;2+1,3+1;18+2;2+1D3;2D3;
InChIKeyJSQVNYWROUFZFS-KFXGSEJZSA-N
XLogP22.00
TPSA393.40 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002219.83
LogP ≤ 522.00
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze 1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol with MolForge

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Related Compounds

4-[3-[1-(4-Methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]butan-2-ol;2-[3-[1-(4-phenylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 91491243
Methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol
CID 158101658
2-(3-Cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol
CID 158727695
3-[1-(4-Chlorophenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-pyridin-1-ium-1-ylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methane;chloride
CID 158868585
2-[3-[1-(2-Chloro-4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;cyclopropyl-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid;2-methyl-4-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]butan-2-ol;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 158875526
2-[3-[1-(4-Tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-fluoro-4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl 4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoate;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-propan-2-ylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 159127431
1-Cyclohexyl-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol;2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol
CID 159380080
2-[3-[1-[4-chloro-3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-cyclopropylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-ethylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;tris(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-(1-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 160201222
Methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]triazolo[1,5-a]pyridin-7-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol
CID 160429380
2-[3-[1-[4-(Hydroxymethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]ethanone;bis(methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate);methyl 2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;6-methyl-6-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-5-oxoheptanenitrile;3-[5-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]tetrazol-1-yl]propanenitrile
CID 160447776
1-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]ethanone;3-methyl-3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]butanamide;2-methyl-2-[3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid;2-methyl-2-[3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol;3-[1-(4-methylphenyl)cyclopropyl]-8-[2-methyl-1-(2H-tetrazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-8-[2-(2H-tetrazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 160960169
1-Cyclohexyl-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol;2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol
CID 162116190

Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The IUPAC name of 1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 159012417) is 1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.
What is the SMILES notation for 1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The canonical SMILES for 1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is C.Cc1ccc(C2(c3nnc4c(C([13CH3])([13CH3])O)cccn34)CC2)cc1.Cc1ccc(C2(c3nnc4c(C([14CH3])([14CH3])O)cccn34)CC2)cc1.Cc1ccc(C2(c3nnc4c([14C](C)(C)O)cccn34)CC2)cc1.[2H]C([2H])(O)C(C)(O)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12.[2H]C([2H])([2H])C(C)(O)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12.[2H][13C]([2H])(O)C(C)(O)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12.[2H][13C]([2H])([2H])C(C)(O)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12.
What is the InChIKey of 1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The InChIKey is JSQVNYWROUFZFS-KFXGSEJZSA-N. The full InChI is InChI=1S/2C19H21N3O2.5C19H21N3O.CH4/c2*1-13-5-7-14(8-6-13)19(9-10-19)17-21-20-16-15(18(2,24)12-23)4-3-11-22(16)17;5*1-13-6-8-14(9-7-13)19(10-11-19)17-21-20-16-15(18(2,3)23)5-4-12-22(16)17;/h2*3-8,11,23-24H,9-10,12H2,1-2H3;5*4-9,12,23H,10-11H2,1-3H3;1H4/i12+1D2;12D2;2+2,3+2;2+1,3+1;18+2;2+1D3;2D3;.
What are the key properties of 1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol has a molecular weight of 2219.83 g/mol, XLogP of 22.00, 25 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 159012417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).