2-[3-[5-cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid

C135H152F3N21O17 — CID 161006041

IUPAC2-[3-[5-cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid
SMILESCCc1nnc(CCCc2cc(C(=O)O)cc(CO)n2)n1CCCC(C)C.COc1ccc(OCc2ccccc2)c(CCCc2cc(C(=O)O)cc(CO)n2)n1.Cc1cc(C(=O)O)cc(CCCc2ncc(C3CCC3)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nnc(C)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nnc(C3CC3)n2Cc2ccc(F)cc2)n1.O=C(O)c1cc(CO)nc(CCCc2nnc(C3=CC=CC3)n2CCCc2ccccc2)c1
InChIInChI=1S/C26H28N4O3.C24H26FN3O2.C23H24N2O5.C22H23FN4O2.C20H21FN4O2.C20H30N4O3/c31-18-23-17-21(26(32)33)16-22(27-23)13-6-14-24-28-29-25(20-11-4-5-12-20)30(24)15-7-10-19-8-2-1-3-9-19;1-16-12-19(24(29)30)13-21(27-16)6-3-7-23-26-14-22(18-4-2-5-18)28(23)15-17-8-10-20(25)11-9-17;1-29-22-11-10-21(30-15-16-6-3-2-4-7-16)20(25-22)9-5-8-18-12-17(23(27)28)13-19(14-26)24-18;1-14-11-17(22(28)29)12-19(24-14)3-2-4-20-25-26-21(16-7-8-16)27(20)13-15-5-9-18(23)10-6-15;1-13-10-16(20(26)27)11-18(22-13)4-3-5-19-24-23-14(2)25(19)12-15-6-8-17(21)9-7-15;1-4-18-22-23-19(24(18)10-6-7-14(2)3)9-5-8-16-11-15(20(26)27)12-17(13-25)21-16/h1-5,8-9,11,16-17,31H,6-7,10,12-15,18H2,(H,32,33);8-14,18H,2-7,15H2,1H3,(H,29,30);2-4,6-7,10-13,26H,5,8-9,14-15H2,1H3,(H,27,28);5-6,9-12,16H,2-4,7-8,13H2,1H3,(H,28,29);6-11H,3-5,12H2,1-2H3,(H,26,27);11-12,14,25H,4-10,13H2,1-3H3,(H,26,27)
InChIKeyTWMYLZGHFJVHAQ-UHFFFAOYSA-N
MW2397.82 g/mol
LogP22.67
Rot. Bonds55

About 2-[3-[5-cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid

2-[3-[5-cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid (PubChem CID 161006041) has the molecular formula C135H152F3N21O17 and a molecular weight of 2397.82 g/mol. Its IUPAC name is 2-[3-[5-cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[5-cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid
PubChem CID161006041
Molecular FormulaC135H152F3N21O17
Molecular Weight2397.82 g/mol
Exact Mass2396.16
IUPAC Name2-[3-[5-cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid
SMILESCCc1nnc(CCCc2cc(C(=O)O)cc(CO)n2)n1CCCC(C)C.COc1ccc(OCc2ccccc2)c(CCCc2cc(C(=O)O)cc(CO)n2)n1.Cc1cc(C(=O)O)cc(CCCc2ncc(C3CCC3)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nnc(C)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nnc(C3CC3)n2Cc2ccc(F)cc2)n1.O=C(O)c1cc(CO)nc(CCCc2nnc(C3=CC=CC3)n2CCCc2ccccc2)c1
InChIInChI=1S/C26H28N4O3.C24H26FN3O2.C23H24N2O5.C22H23FN4O2.C20H21FN4O2.C20H30N4O3/c31-18-23-17-21(26(32)33)16-22(27-23)13-6-14-24-28-29-25(20-11-4-5-12-20)30(24)15-7-10-19-8-2-1-3-9-19;1-16-12-19(24(29)30)13-21(27-16)6-3-7-23-26-14-22(18-4-2-5-18)28(23)15-17-8-10-20(25)11-9-17;1-29-22-11-10-21(30-15-16-6-3-2-4-7-16)20(25-22)9-5-8-18-12-17(23(27)28)13-19(14-26)24-18;1-14-11-17(22(28)29)12-19(24-14)3-2-4-20-25-26-21(16-7-8-16)27(20)13-15-5-9-18(23)10-6-15;1-13-10-16(20(26)27)11-18(22-13)4-3-5-19-24-23-14(2)25(19)12-15-6-8-17(21)9-7-15;1-4-18-22-23-19(24(18)10-6-7-14(2)3)9-5-8-16-11-15(20(26)27)12-17(13-25)21-16/h1-5,8-9,11,16-17,31H,6-7,10,12-15,18H2,(H,32,33);8-14,18H,2-7,15H2,1H3,(H,29,30);2-4,6-7,10-13,26H,5,8-9,14-15H2,1H3,(H,27,28);5-6,9-12,16H,2-4,7-8,13H2,1H3,(H,28,29);6-11H,3-5,12H2,1-2H3,(H,26,27);11-12,14,25H,4-10,13H2,1-3H3,(H,26,27)
InChIKeyTWMYLZGHFJVHAQ-UHFFFAOYSA-N
XLogP22.67
TPSA533.84 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds55
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002397.82
LogP ≤ 522.67
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Analyze 2-[3-[5-cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

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
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
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-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid
CID 157173777
2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid
CID 157368780
2-[3-[4-[(4-fluorophenoxy)methyl]-2H-pyrrol-5-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methylamino]methyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-heptyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-[3-(3-methylbutyl)-2-pyridinyl]butyl]pyridine-4-carboxylic acid;2-methyl-6-[2-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]pyridine-4-carboxylic acid
CID 157411327
4-Butoxypyridine-2-carboxylic acid;1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;4-cyclopentyloxypyridine-2-carboxylic acid;1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-[(2-methylpyrimidin-5-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid
CID 157604254
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
2-[3-[5-ethyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4,5-dimethylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[6-methoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-pyrimidin-5-ylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid
CID 157875016
2-[3-[1-[[3-(Aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid;2-[3-[6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxylic acid
CID 157991326
1-[6-[(5-Fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone
CID 158036342
trans-(1S,3S)-3-[[6-[5-[[(4-cyclopropyloxypyrimidin-2-yl)-methylamino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[(6-cyclopropyl-2-pyridinyl)methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[[4-(methoxymethyl)-2-pyridinyl]oxymethyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[2-methyl-6-[1-methyl-5-[(6-propoxy-2-pyridinyl)methyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 158054754

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-[5-cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid (CID 161006041) is 2-[3-[5-cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-[5-cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-[5-cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid is CCc1nnc(CCCc2cc(C(=O)O)cc(CO)n2)n1CCCC(C)C.COc1ccc(OCc2ccccc2)c(CCCc2cc(C(=O)O)cc(CO)n2)n1.Cc1cc(C(=O)O)cc(CCCc2ncc(C3CCC3)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nnc(C)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nnc(C3CC3)n2Cc2ccc(F)cc2)n1.O=C(O)c1cc(CO)nc(CCCc2nnc(C3=CC=CC3)n2CCCc2ccccc2)c1.
What is the InChIKey of 2-[3-[5-cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid?
The InChIKey is TWMYLZGHFJVHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3.C24H26FN3O2.C23H24N2O5.C22H23FN4O2.C20H21FN4O2.C20H30N4O3/c31-18-23-17-21(26(32)33)16-22(27-23)13-6-14-24-28-29-25(20-11-4-5-12-20)30(24)15-7-10-19-8-2-1-3-9-19;1-16-12-19(24(29)30)13-21(27-16)6-3-7-23-26-14-22(18-4-2-5-18)28(23)15-17-8-10-20(25)11-9-17;1-29-22-11-10-21(30-15-16-6-3-2-4-7-16)20(25-22)9-5-8-18-12-17(23(27)28)13-19(14-26)24-18;1-14-11-17(22(28)29)12-19(24-14)3-2-4-20-25-26-21(16-7-8-16)27(20)13-15-5-9-18(23)10-6-15;1-13-10-16(20(26)27)11-18(22-13)4-3-5-19-24-23-14(2)25(19)12-15-6-8-17(21)9-7-15;1-4-18-22-23-19(24(18)10-6-7-14(2)3)9-5-8-16-11-15(20(26)27)12-17(13-25)21-16/h1-5,8-9,11,16-17,31H,6-7,10,12-15,18H2,(H,32,33);8-14,18H,2-7,15H2,1H3,(H,29,30);2-4,6-7,10-13,26H,5,8-9,14-15H2,1H3,(H,27,28);5-6,9-12,16H,2-4,7-8,13H2,1H3,(H,28,29);6-11H,3-5,12H2,1-2H3,(H,26,27);11-12,14,25H,4-10,13H2,1-3H3,(H,26,27).
What are the key properties of 2-[3-[5-cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid?
2-[3-[5-cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid has a molecular weight of 2397.82 g/mol, XLogP of 22.67, 55 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 161006041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).