2-[3-[5-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid

C147H161F4N21O15 — CID 158421373

IUPAC2-[3-[5-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid
SMILESCCC(C)Cc1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.CCc1nnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1cccc(C(C)O)c1.Cc1cc(C(=O)O)cc(CCCc2ncc(CCc3ccccc3)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nnc(C(C)C)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nnc(Cc3ccccc3)n2Cc2ccc(F)cc2)n1.Cc1cc(OCc2ccccc2)c(CCCCc2cc(C(=O)O)cc(CO)n2)nn1
InChIInChI=1S/C28H28FN3O2.C26H25FN4O2.C25H30FN3O2.C23H28N4O3.C23H25N3O4.C22H25FN4O2/c1-20-16-23(28(33)34)17-25(31-20)8-5-9-27-30-18-26(15-12-21-6-3-2-4-7-21)32(27)19-22-10-13-24(29)14-11-22;1-18-14-21(26(32)33)16-23(28-18)8-5-9-24-29-30-25(15-19-6-3-2-4-7-19)31(24)17-20-10-12-22(27)13-11-20;1-4-17(2)12-23-15-27-24(29(23)16-19-8-10-21(26)11-9-19)7-5-6-22-14-20(25(30)31)13-18(3)28-22;1-4-21-25-26-22(27(21)14-17-7-5-8-18(12-17)16(3)28)10-6-9-20-13-19(23(29)30)11-15(2)24-20;1-16-11-22(30-15-17-7-3-2-4-8-17)21(26-25-16)10-6-5-9-19-12-18(23(28)29)13-20(14-27)24-19;1-14(2)21-26-25-20(27(21)13-16-7-9-18(23)10-8-16)6-4-5-19-12-17(22(28)29)11-15(3)24-19/h2-4,6-7,10-11,13-14,16-18H,5,8-9,12,15,19H2,1H3,(H,33,34);2-4,6-7,10-14,16H,5,8-9,15,17H2,1H3,(H,32,33);8-11,13-15,17H,4-7,12,16H2,1-3H3,(H,30,31);5,7-8,11-13,16,28H,4,6,9-10,14H2,1-3H3,(H,29,30);2-4,7-8,11-13,27H,5-6,9-10,14-15H2,1H3,(H,28,29);7-12,14H,4-6,13H2,1-3H3,(H,28,29)
InChIKeyHANLGAOLGFZKTC-UHFFFAOYSA-N
MW2538.03 g/mol
LogP26.50
Rot. Bonds56

About 2-[3-[5-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid

2-[3-[5-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid (PubChem CID 158421373) has the molecular formula C147H161F4N21O15 and a molecular weight of 2538.03 g/mol. Its IUPAC name is 2-[3-[5-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[5-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid
PubChem CID158421373
Molecular FormulaC147H161F4N21O15
Molecular Weight2538.03 g/mol
Exact Mass2536.24
IUPAC Name2-[3-[5-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid
SMILESCCC(C)Cc1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.CCc1nnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1cccc(C(C)O)c1.Cc1cc(C(=O)O)cc(CCCc2ncc(CCc3ccccc3)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nnc(C(C)C)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nnc(Cc3ccccc3)n2Cc2ccc(F)cc2)n1.Cc1cc(OCc2ccccc2)c(CCCCc2cc(C(=O)O)cc(CO)n2)nn1
InChIInChI=1S/C28H28FN3O2.C26H25FN4O2.C25H30FN3O2.C23H28N4O3.C23H25N3O4.C22H25FN4O2/c1-20-16-23(28(33)34)17-25(31-20)8-5-9-27-30-18-26(15-12-21-6-3-2-4-7-21)32(27)19-22-10-13-24(29)14-11-22;1-18-14-21(26(32)33)16-23(28-18)8-5-9-24-29-30-25(15-19-6-3-2-4-7-19)31(24)17-20-10-12-22(27)13-11-20;1-4-17(2)12-23-15-27-24(29(23)16-19-8-10-21(26)11-9-19)7-5-6-22-14-20(25(30)31)13-18(3)28-22;1-4-21-25-26-22(27(21)14-17-7-5-8-18(12-17)16(3)28)10-6-9-20-13-19(23(29)30)11-15(2)24-20;1-16-11-22(30-15-17-7-3-2-4-8-17)21(26-25-16)10-6-5-9-19-12-18(23(28)29)13-20(14-27)24-19;1-14(2)21-26-25-20(27(21)13-16-7-9-18(23)10-8-16)6-4-5-19-12-17(22(28)29)11-15(3)24-19/h2-4,6-7,10-11,13-14,16-18H,5,8-9,12,15,19H2,1H3,(H,33,34);2-4,6-7,10-14,16H,5,8-9,15,17H2,1H3,(H,32,33);8-11,13-15,17H,4-7,12,16H2,1-3H3,(H,30,31);5,7-8,11-13,16,28H,4,6,9-10,14H2,1-3H3,(H,29,30);2-4,7-8,11-13,27H,5-6,9-10,14-15H2,1H3,(H,28,29);7-12,14H,4-6,13H2,1-3H3,(H,28,29)
InChIKeyHANLGAOLGFZKTC-UHFFFAOYSA-N
XLogP26.50
TPSA504.38 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds56
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002538.03
LogP ≤ 526.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 2-[3-[5-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

1-[4-(4,6-Dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(5-fluoro-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(3-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
CID 157243843
2-[5-[[4-[[4-(1,1-Difluoroethyl)phenyl]methyl]piperazin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;methane;methyl 2-[1-methyl-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate;2-[1-methyl-5-[[4-(3-phenoxypropyl)piperazin-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid
CID 157534015
3-(3-hydroxyphenyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(2-morpholin-4-ylethoxy)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-phenylmethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]benzoic acid;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide
CID 157860152
2-[[2,5-Difluoro-4-[6-[(6-methoxy-3-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[2,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 158310400
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-fluoro-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone
CID 158342124
2-[3-[4-Ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid
CID 158987792
6-[4-(3,3-Difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 159160769
3-methyl-2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;1-methyl-5-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid;1-[6-[5-methyl-2-[[2-(1-phenylethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 160034205
2-[3-[5-butan-2-yl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[4-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,2,4-triazol-3-yl]butyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[2-[(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-methyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid
CID 160821769
6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxylic acid;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]methanol
CID 160952792
3-(1,1-Difluoroethyl)-6-[6-(trifluoromethoxymethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxylic acid;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]methanol
CID 161451549
2-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;2-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[2-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-pyridinyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 163484285

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-[5-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid (CID 158421373) is 2-[3-[5-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-[5-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-[5-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid is CCC(C)Cc1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.CCc1nnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1cccc(C(C)O)c1.Cc1cc(C(=O)O)cc(CCCc2ncc(CCc3ccccc3)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nnc(C(C)C)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nnc(Cc3ccccc3)n2Cc2ccc(F)cc2)n1.Cc1cc(OCc2ccccc2)c(CCCCc2cc(C(=O)O)cc(CO)n2)nn1.
What is the InChIKey of 2-[3-[5-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid?
The InChIKey is HANLGAOLGFZKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O2.C26H25FN4O2.C25H30FN3O2.C23H28N4O3.C23H25N3O4.C22H25FN4O2/c1-20-16-23(28(33)34)17-25(31-20)8-5-9-27-30-18-26(15-12-21-6-3-2-4-7-21)32(27)19-22-10-13-24(29)14-11-22;1-18-14-21(26(32)33)16-23(28-18)8-5-9-24-29-30-25(15-19-6-3-2-4-7-19)31(24)17-20-10-12-22(27)13-11-20;1-4-17(2)12-23-15-27-24(29(23)16-19-8-10-21(26)11-9-19)7-5-6-22-14-20(25(30)31)13-18(3)28-22;1-4-21-25-26-22(27(21)14-17-7-5-8-18(12-17)16(3)28)10-6-9-20-13-19(23(29)30)11-15(2)24-20;1-16-11-22(30-15-17-7-3-2-4-8-17)21(26-25-16)10-6-5-9-19-12-18(23(28)29)13-20(14-27)24-19;1-14(2)21-26-25-20(27(21)13-16-7-9-18(23)10-8-16)6-4-5-19-12-17(22(28)29)11-15(3)24-19/h2-4,6-7,10-11,13-14,16-18H,5,8-9,12,15,19H2,1H3,(H,33,34);2-4,6-7,10-14,16H,5,8-9,15,17H2,1H3,(H,32,33);8-11,13-15,17H,4-7,12,16H2,1-3H3,(H,30,31);5,7-8,11-13,16,28H,4,6,9-10,14H2,1-3H3,(H,29,30);2-4,7-8,11-13,27H,5-6,9-10,14-15H2,1H3,(H,28,29);7-12,14H,4-6,13H2,1-3H3,(H,28,29).
What are the key properties of 2-[3-[5-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid?
2-[3-[5-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid has a molecular weight of 2538.03 g/mol, XLogP of 26.50, 56 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158421373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).