2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde

C150H142F6N28O24 — CID 157428961

IUPAC2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde
SMILES[2H]C([2H])(Oc1cc(F)cc(O)c1C=O)c1cccnc1-c1c(F)cnn1C(C)C.[2H]C([2H])(Oc1cc(F)cc(O)c1C=O)c1cccnc1-c1ccnn1C(C)C.[2H]C([2H])(Oc1cc(F)cc(O)c1C=O)c1cncnc1-c1ccnn1C(C)C.[2H]C([2H])(Oc1ccc(F)c(O)c1C=O)c1cncnc1-c1ccnn1C(C)C.[2H]C([2H])(Oc1ccc2ncoc2c1C=O)c1cccnc1-c1ccnn1C(C)C.[2H]C([2H])(Oc1cccc(O)c1C=O)c1cccnc1-c1c(F)cnn1C(C)C.[2H]C([2H])(Oc1cccc(O)c1C=O)c1cccnc1-n1ccnc1C(C)C.[2H]C([2H])(Oc1cccc(O)c1C=O)c1cncnc1-c1ccnn1C(C)C
InChIInChI=1S/C20H18N4O3.C19H17F2N3O3.2C19H18FN3O3.C19H19N3O3.2C18H17FN4O3.C18H18N4O3/c1-13(2)24-17(7-9-23-24)19-14(4-3-8-21-19)11-26-18-6-5-16-20(15(18)10-25)27-12-22-16;1-11(2)24-19(15(21)8-23-24)18-12(4-3-5-22-18)10-27-17-7-13(20)6-16(26)14(17)9-25;1-12(2)23-19(15(20)9-22-23)18-13(5-4-8-21-18)11-26-17-7-3-6-16(25)14(17)10-24;1-12(2)23-16(5-7-22-23)19-13(4-3-6-21-19)11-26-18-9-14(20)8-17(25)15(18)10-24;1-13(2)18-21-9-10-22(18)19-14(5-4-8-20-19)12-25-17-7-3-6-16(24)15(17)11-23;1-11(2)23-15(3-4-22-23)18-12(7-20-10-21-18)9-26-17-6-13(19)5-16(25)14(17)8-24;1-11(2)23-15(5-6-22-23)17-12(7-20-10-21-17)9-26-16-4-3-14(19)18(25)13(16)8-24;1-12(2)22-15(6-7-21-22)18-13(8-19-11-20-18)10-25-17-5-3-4-16(24)14(17)9-23/h3-10,12-13H,11H2,1-2H3;3-9,11,26H,10H2,1-2H3;2*3-10,12,25H,11H2,1-2H3;3-11,13,24H,12H2,1-2H3;2*3-8,10-11,25H,9H2,1-2H3;3-9,11-12,24H,10H2,1-2H3/i11D2;10D2;2*11D2;12D2;2*9D2;10D2
InChIKeyBQHLBGOJZKDHTO-AJQJVNDVSA-N
MW2851.04 g/mol
LogP28.30
Rot. Bonds48

About 2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde

2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde (PubChem CID 157428961) has the molecular formula C150H142F6N28O24 and a molecular weight of 2851.04 g/mol. Its IUPAC name is 2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde
PubChem CID157428961
Molecular FormulaC150H142F6N28O24
Molecular Weight2851.04 g/mol
Exact Mass2849.17
IUPAC Name2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde
SMILES[2H]C([2H])(Oc1cc(F)cc(O)c1C=O)c1cccnc1-c1c(F)cnn1C(C)C.[2H]C([2H])(Oc1cc(F)cc(O)c1C=O)c1cccnc1-c1ccnn1C(C)C.[2H]C([2H])(Oc1cc(F)cc(O)c1C=O)c1cncnc1-c1ccnn1C(C)C.[2H]C([2H])(Oc1ccc(F)c(O)c1C=O)c1cncnc1-c1ccnn1C(C)C.[2H]C([2H])(Oc1ccc2ncoc2c1C=O)c1cccnc1-c1ccnn1C(C)C.[2H]C([2H])(Oc1cccc(O)c1C=O)c1cccnc1-c1c(F)cnn1C(C)C.[2H]C([2H])(Oc1cccc(O)c1C=O)c1cccnc1-n1ccnc1C(C)C.[2H]C([2H])(Oc1cccc(O)c1C=O)c1cncnc1-c1ccnn1C(C)C
InChIInChI=1S/C20H18N4O3.C19H17F2N3O3.2C19H18FN3O3.C19H19N3O3.2C18H17FN4O3.C18H18N4O3/c1-13(2)24-17(7-9-23-24)19-14(4-3-8-21-19)11-26-18-6-5-16-20(15(18)10-25)27-12-22-16;1-11(2)24-19(15(21)8-23-24)18-12(4-3-5-22-18)10-27-17-7-13(20)6-16(26)14(17)9-25;1-12(2)23-19(15(20)9-22-23)18-13(5-4-8-21-18)11-26-17-7-3-6-16(25)14(17)10-24;1-12(2)23-16(5-7-22-23)19-13(4-3-6-21-19)11-26-18-9-14(20)8-17(25)15(18)10-24;1-13(2)18-21-9-10-22(18)19-14(5-4-8-20-19)12-25-17-7-3-6-16(24)15(17)11-23;1-11(2)23-15(3-4-22-23)18-12(7-20-10-21-18)9-26-17-6-13(19)5-16(25)14(17)8-24;1-11(2)23-15(5-6-22-23)17-12(7-20-10-21-17)9-26-16-4-3-14(19)18(25)13(16)8-24;1-12(2)22-15(6-7-21-22)18-13(8-19-11-20-18)10-25-17-5-3-4-16(24)14(17)9-23/h3-10,12-13H,11H2,1-2H3;3-9,11,26H,10H2,1-2H3;2*3-10,12,25H,11H2,1-2H3;3-11,13,24H,12H2,1-2H3;2*3-8,10-11,25H,9H2,1-2H3;3-9,11-12,24H,10H2,1-2H3/i11D2;10D2;2*11D2;12D2;2*9D2;10D2
InChIKeyBQHLBGOJZKDHTO-AJQJVNDVSA-N
XLogP28.30
TPSA662.39 Ų
H-Bond Donors7
H-Bond Acceptors52
Rotatable Bonds48
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002851.04
LogP ≤ 528.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde with MolForge

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Launch Full Analysis

Related Compounds

CID 159003755
CID 159003755
CID 160055045
CID 160055045
N,N-dimethyl-3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxamide;5-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrimidine-2-carbonitrile;5-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;[3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-pyridinyl]methanol;N-methyl-3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxamide
CID 163433660
3-(8-Tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;1-(3-tert-butylphenyl)-2-(1-methylpyrazol-4-yl)ethanone;4-[2-(3-tert-butylphenyl)-2-oxoethyl]benzonitrile;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 163443870
6-[[2-[1-[Amino(propan-2-yl)amino]-2-methylprop-1-enyl]-3-pyridinyl]-dihydroxymethoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dihydroxy-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 145419945
5-(1-Cyclopentylpyrazol-4-yl)-3-methoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-methoxy-5-(3-methoxyphenyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-methoxy-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;3-methoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyridin-3-ylphenol;3-methoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)phenol;5-(5-methyl-1,3-oxazol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylmethoxyphenol
CID 157181685
2-[[2-(2-Cyclopropylimidazol-1-yl)-3-pyridinyl]-dideuteriomethoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[4-(4-fluoro-1-propan-2-ylpyrazol-5-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylimidazol-1-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylimidazol-1-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[3-(2-propan-2-ylpyrazol-3-yl)-2-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[3-(2-propan-2-ylpyrazol-3-yl)-2-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 157714724
6-Hydroxy-1,3-benzoxazole-7-carbaldehyde;7-(hydroxymethyl)-1,3-benzoxazol-6-ol;methyl 3-amino-2,6-dihydroxybenzoate;methyl 2,6-dihydroxybenzoate;methyl 2,6-dihydroxy-3-nitrobenzoate;methyl 6-hydroxy-1,3-benzoxazole-7-carboxylate;nitric acid;6-[[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-1,3-benzoxazole-7-carbaldehyde
CID 157801311
(3-Ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158281256
2-[Dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde
CID 158327250
5-(Chloromethyl)-4-(4-fluoro-1-propan-2-ylpyrazol-5-yl)pyrimidine;[4-(4-fluoro-1-propan-2-ylpyrazol-5-yl)pyrimidin-5-yl]methanol;2-[[4-(4-fluoro-1-propan-2-ylpyrazol-5-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde;6-hydroxy-1,3-benzoxazole-7-carbaldehyde;[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methanol;thionyl dichloride
CID 159916819
2-[[2-(2-Cyclopropylimidazol-1-yl)-3-pyridinyl]-dideuteriomethoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[4-(4-fluoro-1-propan-2-ylpyrazol-5-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylimidazol-1-yl)pyrimidin-5-yl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[4-(2-propan-2-ylimidazol-1-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylimidazol-1-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[3-(2-propan-2-ylpyrazol-3-yl)-2-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[3-(2-propan-2-ylpyrazol-3-yl)-2-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 160167873

Frequently Asked Questions

What is the IUPAC name of 2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde?
The IUPAC name of 2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde (CID 157428961) is 2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde?
The canonical SMILES for 2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde is [2H]C([2H])(Oc1cc(F)cc(O)c1C=O)c1cccnc1-c1c(F)cnn1C(C)C.[2H]C([2H])(Oc1cc(F)cc(O)c1C=O)c1cccnc1-c1ccnn1C(C)C.[2H]C([2H])(Oc1cc(F)cc(O)c1C=O)c1cncnc1-c1ccnn1C(C)C.[2H]C([2H])(Oc1ccc(F)c(O)c1C=O)c1cncnc1-c1ccnn1C(C)C.[2H]C([2H])(Oc1ccc2ncoc2c1C=O)c1cccnc1-c1ccnn1C(C)C.[2H]C([2H])(Oc1cccc(O)c1C=O)c1cccnc1-c1c(F)cnn1C(C)C.[2H]C([2H])(Oc1cccc(O)c1C=O)c1cccnc1-n1ccnc1C(C)C.[2H]C([2H])(Oc1cccc(O)c1C=O)c1cncnc1-c1ccnn1C(C)C.
What is the InChIKey of 2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde?
The InChIKey is BQHLBGOJZKDHTO-AJQJVNDVSA-N. The full InChI is InChI=1S/C20H18N4O3.C19H17F2N3O3.2C19H18FN3O3.C19H19N3O3.2C18H17FN4O3.C18H18N4O3/c1-13(2)24-17(7-9-23-24)19-14(4-3-8-21-19)11-26-18-6-5-16-20(15(18)10-25)27-12-22-16;1-11(2)24-19(15(21)8-23-24)18-12(4-3-5-22-18)10-27-17-7-13(20)6-16(26)14(17)9-25;1-12(2)23-19(15(20)9-22-23)18-13(5-4-8-21-18)11-26-17-7-3-6-16(25)14(17)10-24;1-12(2)23-16(5-7-22-23)19-13(4-3-6-21-19)11-26-18-9-14(20)8-17(25)15(18)10-24;1-13(2)18-21-9-10-22(18)19-14(5-4-8-20-19)12-25-17-7-3-6-16(24)15(17)11-23;1-11(2)23-15(3-4-22-23)18-12(7-20-10-21-18)9-26-17-6-13(19)5-16(25)14(17)8-24;1-11(2)23-15(5-6-22-23)17-12(7-20-10-21-17)9-26-16-4-3-14(19)18(25)13(16)8-24;1-12(2)22-15(6-7-21-22)18-13(8-19-11-20-18)10-25-17-5-3-4-16(24)14(17)9-23/h3-10,12-13H,11H2,1-2H3;3-9,11,26H,10H2,1-2H3;2*3-10,12,25H,11H2,1-2H3;3-11,13,24H,12H2,1-2H3;2*3-8,10-11,25H,9H2,1-2H3;3-9,11-12,24H,10H2,1-2H3/i11D2;10D2;2*11D2;12D2;2*9D2;10D2.
What are the key properties of 2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde?
2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde has a molecular weight of 2851.04 g/mol, XLogP of 28.30, 48 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;2-[dideuterio-[2-(2-propan-2-ylimidazol-1-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde;6-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1,3-benzoxazole-7-carbaldehyde;2-[dideuterio-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-4-fluoro-6-hydroxybenzaldehyde;6-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-3-fluoro-2-hydroxybenzaldehyde;2-[dideuterio-[4-(2-propan-2-ylpyrazol-3-yl)pyrimidin-5-yl]methoxy]-6-hydroxybenzaldehyde is sourced from PubChem (CID 157428961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).