acetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;tert-butyl 2-dimethoxyphosphorylacetate;tert-butyl 2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetate;tert-butyl 5-[[2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetyl]amino]-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-one;2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetic acid;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;piperidin-4-one

C168H183BrF6N27O29P — CID 159357738

IUPACacetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;tert-butyl 2-dimethoxyphosphorylacetate;tert-butyl 2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetate;tert-butyl 5-[[2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetyl]amino]-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-one;2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetic acid;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;piperidin-4-one
SMILESCC(=O)O.CC(C)(C)OC(=O)c1ccc(N)c(NC[C@@H]2CCO2)n1.COP(=O)(CC(=O)OC(C)(C)C)OC.O=C1CCNCC1.[C-]#[N+]c1ccc(COc2cccc(Br)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCC(=CC(=O)Nc4ccc(C(=O)OC(C)(C)C)nc4NC[C@@H]4CCO4)CC3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCC(=CC(=O)O)CC3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCC(=CC(=O)OC(C)(C)C)CC3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCC(=Cc4nc5ccc(C(=O)O)nc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCC(=O)CC3)n2)c(F)c1
InChIInChI=1S/C34H37FN6O5.C30H27FN6O4.C24H26FN3O3.C20H18FN3O3.C18H16FN3O2.C14H21N3O3.C13H8BrFN2O.C8H17O5P.C5H9NO.C2H4O2/c1-34(2,3)46-33(43)28-11-10-27(32(39-28)37-20-25-14-17-44-25)38-30(42)18-22-12-15-41(16-13-22)29-6-5-7-31(40-29)45-21-23-8-9-24(36-4)19-26(23)35;1-32-21-6-5-20(23(31)16-21)18-41-28-4-2-3-26(35-28)36-12-9-19(10-13-36)15-27-33-24-7-8-25(30(38)39)34-29(24)37(27)17-22-11-14-40-22;1-24(2,3)31-23(29)14-17-10-12-28(13-11-17)21-6-5-7-22(27-21)30-16-18-8-9-19(26-4)15-20(18)25;1-22-16-6-5-15(17(21)12-16)13-27-19-4-2-3-18(23-19)24-9-7-14(8-10-24)11-20(25)26;1-20-14-6-5-13(16(19)11-14)12-24-18-4-2-3-17(21-18)22-9-7-15(23)8-10-22;1-14(2,3)20-13(18)11-5-4-10(15)12(17-11)16-8-9-6-7-19-9;1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13;1-8(2,3)13-7(9)6-14(10,11-4)12-5;7-5-1-3-6-4-2-5;1-2(3)4/h5-11,18-19,25H,12-17,20-21H2,1-3H3,(H,37,39)(H,38,42);2-8,15-16,22H,9-14,17-18H2,(H,38,39);5-9,14-15H,10-13,16H2,1-3H3;2-6,11-12H,7-10,13H2,(H,25,26);2-6,11H,7-10,12H2;4-5,9H,6-8,15H2,1-3H3,(H,16,17);2-7H,8H2;6H2,1-5H3;6H,1-4H2;1H3,(H,3,4)/t25-;22-;;;;9-;;;;/m00...0..../s1
InChIKeyQAEHLPKYXAEOPL-UZFGYDQXSA-N
MW3269.34 g/mol
LogP31.81
Rot. Bonds43

About acetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;tert-butyl 2-dimethoxyphosphorylacetate;tert-butyl 2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetate;tert-butyl 5-[[2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetyl]amino]-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-one;2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetic acid;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;piperidin-4-one

acetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;tert-butyl 2-dimethoxyphosphorylacetate;tert-butyl 2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetate;tert-butyl 5-[[2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetyl]amino]-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-one;2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetic acid;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;piperidin-4-one (PubChem CID 159357738) has the molecular formula C168H183BrF6N27O29P and a molecular weight of 3269.34 g/mol. Its IUPAC name is acetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;tert-butyl 2-dimethoxyphosphorylacetate;tert-butyl 2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetate;tert-butyl 5-[[2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetyl]amino]-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-one;2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetic acid;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;piperidin-4-one.

Molecular Properties

Compound Nameacetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;tert-butyl 2-dimethoxyphosphorylacetate;tert-butyl 2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetate;tert-butyl 5-[[2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetyl]amino]-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-one;2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetic acid;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;piperidin-4-one
PubChem CID159357738
Molecular FormulaC168H183BrF6N27O29P
Molecular Weight3269.34 g/mol
Exact Mass3266.25
IUPAC Nameacetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;tert-butyl 2-dimethoxyphosphorylacetate;tert-butyl 2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetate;tert-butyl 5-[[2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetyl]amino]-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-one;2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetic acid;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;piperidin-4-one
SMILESCC(=O)O.CC(C)(C)OC(=O)c1ccc(N)c(NC[C@@H]2CCO2)n1.COP(=O)(CC(=O)OC(C)(C)C)OC.O=C1CCNCC1.[C-]#[N+]c1ccc(COc2cccc(Br)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCC(=CC(=O)Nc4ccc(C(=O)OC(C)(C)C)nc4NC[C@@H]4CCO4)CC3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCC(=CC(=O)O)CC3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCC(=CC(=O)OC(C)(C)C)CC3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCC(=Cc4nc5ccc(C(=O)O)nc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCC(=O)CC3)n2)c(F)c1
InChIInChI=1S/C34H37FN6O5.C30H27FN6O4.C24H26FN3O3.C20H18FN3O3.C18H16FN3O2.C14H21N3O3.C13H8BrFN2O.C8H17O5P.C5H9NO.C2H4O2/c1-34(2,3)46-33(43)28-11-10-27(32(39-28)37-20-25-14-17-44-25)38-30(42)18-22-12-15-41(16-13-22)29-6-5-7-31(40-29)45-21-23-8-9-24(36-4)19-26(23)35;1-32-21-6-5-20(23(31)16-21)18-41-28-4-2-3-26(35-28)36-12-9-19(10-13-36)15-27-33-24-7-8-25(30(38)39)34-29(24)37(27)17-22-11-14-40-22;1-24(2,3)31-23(29)14-17-10-12-28(13-11-17)21-6-5-7-22(27-21)30-16-18-8-9-19(26-4)15-20(18)25;1-22-16-6-5-15(17(21)12-16)13-27-19-4-2-3-18(23-19)24-9-7-14(8-10-24)11-20(25)26;1-20-14-6-5-13(16(19)11-14)12-24-18-4-2-3-17(21-18)22-9-7-15(23)8-10-22;1-14(2,3)20-13(18)11-5-4-10(15)12(17-11)16-8-9-6-7-19-9;1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13;1-8(2,3)13-7(9)6-14(10,11-4)12-5;7-5-1-3-6-4-2-5;1-2(3)4/h5-11,18-19,25H,12-17,20-21H2,1-3H3,(H,37,39)(H,38,42);2-8,15-16,22H,9-14,17-18H2,(H,38,39);5-9,14-15H,10-13,16H2,1-3H3;2-6,11-12H,7-10,13H2,(H,25,26);2-6,11H,7-10,12H2;4-5,9H,6-8,15H2,1-3H3,(H,16,17);2-7H,8H2;6H2,1-5H3;6H,1-4H2;1H3,(H,3,4)/t25-;22-;;;;9-;;;;/m00...0..../s1
InChIKeyQAEHLPKYXAEOPL-UZFGYDQXSA-N
XLogP31.81
TPSA637.24 Ų
H-Bond Donors8
H-Bond Acceptors46
Rotatable Bonds43
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003269.34
LogP ≤ 531.81
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze acetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;tert-butyl 2-dimethoxyphosphorylacetate;tert-butyl 2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetate;tert-butyl 5-[[2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetyl]amino]-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-one;2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetic acid;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;piperidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;2,2,2-trifluoroacetaldehyde
CID 159423506
sodium;acetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 4-[3-[4-ethoxycarbonyl-3-fluoro-2-[[(2S)-oxetan-2-yl]methylamino]phenyl]-2-oxopropyl]piperidine-1-carboxylate;tert-butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;ethyl 4-amino-2-fluoro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;ethyl 4-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;ethyl 4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]-2-(piperidin-4-ylmethyl)benzimidazole-5-carboxylate;methane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2,2,2-trifluoroacetaldehyde;hydroxide
CID 161170033
2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;deuterioethane;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;bis(2,2,2-trifluoroacetaldehyde)
CID 162106785
tert-butyl 2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
CID 158359528
6-[(6-bromo-2-pyridinyl)oxymethyl]pyridine-3-carbonitrile;tert-butyl 4-[2-[4-ethoxycarbonyl-3-fluoro-2-[[(2S)-oxetan-2-yl]methylamino]anilino]-2-oxoethylidene]piperidine-1-carboxylate;2-[[1-[6-[(5-cyano-2-pyridinyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;ethyl 2-[[1-[6-[(5-cyano-2-pyridinyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;ethyl 4-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;ethyl 4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]-2-(piperidin-4-ylidenemethyl)benzimidazole-5-carboxylate
CID 158745284
2-[[2-Fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid;methyl 2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate
CID 159163460
CID 159525351
CID 159525351
CID 162243117
CID 162243117
tert-butyl 2-[[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;(2-fluoro-4-isocyanophenyl)methanol;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 163491806
dipotassium;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid;2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetonitrile;1-(6-bromo-2-pyridinyl)piperidin-4-one;tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;tert-butyl 4-[[2-[1-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;2-cyanoacetic acid;2,6-dibromopyridine;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;hydride;oxido formate;piperidin-4-one
CID 163527008
2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;bis(2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one
CID 163553010

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;tert-butyl 2-dimethoxyphosphorylacetate;tert-butyl 2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetate;tert-butyl 5-[[2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetyl]amino]-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-one;2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetic acid;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;piperidin-4-one?
The IUPAC name of acetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;tert-butyl 2-dimethoxyphosphorylacetate;tert-butyl 2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetate;tert-butyl 5-[[2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetyl]amino]-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-one;2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetic acid;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;piperidin-4-one (CID 159357738) is acetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;tert-butyl 2-dimethoxyphosphorylacetate;tert-butyl 2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetate;tert-butyl 5-[[2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetyl]amino]-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-one;2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetic acid;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;piperidin-4-one.
What is the SMILES notation for acetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;tert-butyl 2-dimethoxyphosphorylacetate;tert-butyl 2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetate;tert-butyl 5-[[2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetyl]amino]-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-one;2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetic acid;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;piperidin-4-one?
The canonical SMILES for acetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;tert-butyl 2-dimethoxyphosphorylacetate;tert-butyl 2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetate;tert-butyl 5-[[2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetyl]amino]-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-one;2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetic acid;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;piperidin-4-one is CC(=O)O.CC(C)(C)OC(=O)c1ccc(N)c(NC[C@@H]2CCO2)n1.COP(=O)(CC(=O)OC(C)(C)C)OC.O=C1CCNCC1.[C-]#[N+]c1ccc(COc2cccc(Br)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCC(=CC(=O)Nc4ccc(C(=O)OC(C)(C)C)nc4NC[C@@H]4CCO4)CC3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCC(=CC(=O)O)CC3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCC(=CC(=O)OC(C)(C)C)CC3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCC(=Cc4nc5ccc(C(=O)O)nc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCC(=O)CC3)n2)c(F)c1.
What is the InChIKey of acetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;tert-butyl 2-dimethoxyphosphorylacetate;tert-butyl 2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetate;tert-butyl 5-[[2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetyl]amino]-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-one;2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetic acid;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;piperidin-4-one?
The InChIKey is QAEHLPKYXAEOPL-UZFGYDQXSA-N. The full InChI is InChI=1S/C34H37FN6O5.C30H27FN6O4.C24H26FN3O3.C20H18FN3O3.C18H16FN3O2.C14H21N3O3.C13H8BrFN2O.C8H17O5P.C5H9NO.C2H4O2/c1-34(2,3)46-33(43)28-11-10-27(32(39-28)37-20-25-14-17-44-25)38-30(42)18-22-12-15-41(16-13-22)29-6-5-7-31(40-29)45-21-23-8-9-24(36-4)19-26(23)35;1-32-21-6-5-20(23(31)16-21)18-41-28-4-2-3-26(35-28)36-12-9-19(10-13-36)15-27-33-24-7-8-25(30(38)39)34-29(24)37(27)17-22-11-14-40-22;1-24(2,3)31-23(29)14-17-10-12-28(13-11-17)21-6-5-7-22(27-21)30-16-18-8-9-19(26-4)15-20(18)25;1-22-16-6-5-15(17(21)12-16)13-27-19-4-2-3-18(23-19)24-9-7-14(8-10-24)11-20(25)26;1-20-14-6-5-13(16(19)11-14)12-24-18-4-2-3-17(21-18)22-9-7-15(23)8-10-22;1-14(2,3)20-13(18)11-5-4-10(15)12(17-11)16-8-9-6-7-19-9;1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13;1-8(2,3)13-7(9)6-14(10,11-4)12-5;7-5-1-3-6-4-2-5;1-2(3)4/h5-11,18-19,25H,12-17,20-21H2,1-3H3,(H,37,39)(H,38,42);2-8,15-16,22H,9-14,17-18H2,(H,38,39);5-9,14-15H,10-13,16H2,1-3H3;2-6,11-12H,7-10,13H2,(H,25,26);2-6,11H,7-10,12H2;4-5,9H,6-8,15H2,1-3H3,(H,16,17);2-7H,8H2;6H2,1-5H3;6H,1-4H2;1H3,(H,3,4)/t25-;22-;;;;9-;;;;/m00...0..../s1.
What are the key properties of acetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;tert-butyl 2-dimethoxyphosphorylacetate;tert-butyl 2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetate;tert-butyl 5-[[2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetyl]amino]-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-one;2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetic acid;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;piperidin-4-one?
acetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;tert-butyl 2-dimethoxyphosphorylacetate;tert-butyl 2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetate;tert-butyl 5-[[2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetyl]amino]-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-one;2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetic acid;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;piperidin-4-one has a molecular weight of 3269.34 g/mol, XLogP of 31.81, 43 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;tert-butyl 2-dimethoxyphosphorylacetate;tert-butyl 2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetate;tert-butyl 5-[[2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetyl]amino]-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-one;2-[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]acetic acid;2-[[1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-4-ylidene]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;piperidin-4-one is sourced from PubChem (CID 159357738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).