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

C129H145F5N20O15 — CID 160821769

IUPAC2-[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
SMILESCC(F)(F)c1ccc(Cn2cnnc2CCCCc2cc(C(=O)O)cc(CO)n2)cc1.CCC(C)c1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.CCc1nnc(CCCc2cc(C(=O)O)cc(CO)n2)n1Cc1ccc(F)cc1.Cc1cc(C(=O)O)cc(CCCc2ncc(C(C)C)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CC[C@H]2CCc3cccnc32)n1.Cc1nnc(CCCc2cc(C(=O)O)cc(CO)n2)n1CCCc1ccccc1
InChIInChI=1S/C24H28FN3O2.C23H26FN3O2.C22H24F2N4O3.C22H26N4O3.C21H23FN4O3.C17H18N2O2/c1-4-16(2)22-14-26-23(28(22)15-18-8-10-20(25)11-9-18)7-5-6-21-13-19(24(29)30)12-17(3)27-21;1-15(2)21-13-25-22(27(21)14-17-7-9-19(24)10-8-17)6-4-5-20-12-18(23(28)29)11-16(3)26-20;1-22(23,24)17-8-6-15(7-9-17)12-28-14-25-27-20(28)5-3-2-4-18-10-16(21(30)31)11-19(13-29)26-18;1-16-24-25-21(26(16)12-6-9-17-7-3-2-4-8-17)11-5-10-19-13-18(22(28)29)14-20(15-27)23-19;1-2-19-24-25-20(26(19)12-14-6-8-16(22)9-7-14)5-3-4-17-10-15(21(28)29)11-18(13-27)23-17;1-11-9-14(17(20)21)10-15(19-11)7-6-13-5-4-12-3-2-8-18-16(12)13/h8-14,16H,4-7,15H2,1-3H3,(H,29,30);7-13,15H,4-6,14H2,1-3H3,(H,28,29);6-11,14,29H,2-5,12-13H2,1H3,(H,30,31);2-4,7-8,13-14,27H,5-6,9-12,15H2,1H3,(H,28,29);6-11,27H,2-5,12-13H2,1H3,(H,28,29);2-3,8-10,13H,4-7H2,1H3,(H,20,21)/t;;;;;13-/m.....1/s1
InChIKeySFQIVJTYTSRWMM-WPPQVGKRSA-N
MW2310.69 g/mol
LogP22.44
Rot. Bonds50

About 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

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 (PubChem CID 160821769) has the molecular formula C129H145F5N20O15 and a molecular weight of 2310.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID160821769
Molecular FormulaC129H145F5N20O15
Molecular Weight2310.69 g/mol
Exact Mass2309.11
IUPAC Name2-[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
SMILESCC(F)(F)c1ccc(Cn2cnnc2CCCCc2cc(C(=O)O)cc(CO)n2)cc1.CCC(C)c1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.CCc1nnc(CCCc2cc(C(=O)O)cc(CO)n2)n1Cc1ccc(F)cc1.Cc1cc(C(=O)O)cc(CCCc2ncc(C(C)C)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CC[C@H]2CCc3cccnc32)n1.Cc1nnc(CCCc2cc(C(=O)O)cc(CO)n2)n1CCCc1ccccc1
InChIInChI=1S/C24H28FN3O2.C23H26FN3O2.C22H24F2N4O3.C22H26N4O3.C21H23FN4O3.C17H18N2O2/c1-4-16(2)22-14-26-23(28(22)15-18-8-10-20(25)11-9-18)7-5-6-21-13-19(24(29)30)12-17(3)27-21;1-15(2)21-13-25-22(27(21)14-17-7-9-19(24)10-8-17)6-4-5-20-12-18(23(28)29)11-16(3)26-20;1-22(23,24)17-8-6-15(7-9-17)12-28-14-25-27-20(28)5-3-2-4-18-10-16(21(30)31)11-19(13-29)26-18;1-16-24-25-21(26(16)12-6-9-17-7-3-2-4-8-17)11-5-10-19-13-18(22(28)29)14-20(15-27)23-19;1-2-19-24-25-20(26(19)12-14-6-8-16(22)9-7-14)5-3-4-17-10-15(21(28)29)11-18(13-27)23-17;1-11-9-14(17(20)21)10-15(19-11)7-6-13-5-4-12-3-2-8-18-16(12)13/h8-14,16H,4-7,15H2,1-3H3,(H,29,30);7-13,15H,4-6,14H2,1-3H3,(H,28,29);6-11,14,29H,2-5,12-13H2,1H3,(H,30,31);2-4,7-8,13-14,27H,5-6,9-12,15H2,1H3,(H,28,29);6-11,27H,2-5,12-13H2,1H3,(H,28,29);2-3,8-10,13H,4-7H2,1H3,(H,20,21)/t;;;;;13-/m.....1/s1
InChIKeySFQIVJTYTSRWMM-WPPQVGKRSA-N
XLogP22.44
TPSA502.49 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds50
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002310.69
LogP ≤ 522.44
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;2-[(3S)-3-phenylbutanoyl]benzoic acid
CID 157154000
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3,5-diphenyl-2-phenylpyrazine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-phenylpyridine;bis(pyridine-2-carboxylic acid);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 157230279
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-phenylpyridine;bis(pyridine-2-carboxylic acid);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 157533021
N,N-dibenzyl-3-(3,5-dimethylpyrazin-2-yl)benzene-4-id-1-amine;bis(3-(3,5-dimethylpyrazin-2-yl)-N-ethyl-N-methylbenzene-4-id-1-amine);tris(iridium);pentane-2,4-diol;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 158093987
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3,5-diphenyl-2-phenylpyrazine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-phenylpyridine;bis(pyridine-2-carboxylic acid);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 158159554
6-[2-(4-Butylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(1,3-dimethyl-2-methylidenebenzimidazol-5-yl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3,4-dimethylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(5-fluoro-2-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 158398697
2-[2-(1-hydroxycyclopropyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-hydroxypropan-2-yl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-hydroxypropan-2-yl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[[4-(3H-pyrrol-2-yl)phenyl]methyl]purin-8-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158427900
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;pentakis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-phenylpyridine;bis(pyridine-2-carboxylic acid);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 158580252
6-[2-[4-(1,1-Difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 158727613
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7-hydroxy-4,5,6,7-tetrahydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 158875460
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3,5-diphenyl-2-phenylpyrazine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-phenylpyridine;bis(pyridine-2-carboxylic acid);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 158876852
Tetrakis(3,5-dimethyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazine);tris(iridium);iridium(3+);pentane-2,4-diol;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;1-[pyrazol-2-ium-1-id-2-yl-di(pyrazol-1-yl)methyl]pyrazole;pyridine-2-carboxylic acid
CID 159361682

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(F)(F)c1ccc(Cn2cnnc2CCCCc2cc(C(=O)O)cc(CO)n2)cc1.CCC(C)c1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.CCc1nnc(CCCc2cc(C(=O)O)cc(CO)n2)n1Cc1ccc(F)cc1.Cc1cc(C(=O)O)cc(CCCc2ncc(C(C)C)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CC[C@H]2CCc3cccnc32)n1.Cc1nnc(CCCc2cc(C(=O)O)cc(CO)n2)n1CCCc1ccccc1.
What is the InChIKey of 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?
The InChIKey is SFQIVJTYTSRWMM-WPPQVGKRSA-N. The full InChI is InChI=1S/C24H28FN3O2.C23H26FN3O2.C22H24F2N4O3.C22H26N4O3.C21H23FN4O3.C17H18N2O2/c1-4-16(2)22-14-26-23(28(22)15-18-8-10-20(25)11-9-18)7-5-6-21-13-19(24(29)30)12-17(3)27-21;1-15(2)21-13-25-22(27(21)14-17-7-9-19(24)10-8-17)6-4-5-20-12-18(23(28)29)11-16(3)26-20;1-22(23,24)17-8-6-15(7-9-17)12-28-14-25-27-20(28)5-3-2-4-18-10-16(21(30)31)11-19(13-29)26-18;1-16-24-25-21(26(16)12-6-9-17-7-3-2-4-8-17)11-5-10-19-13-18(22(28)29)14-20(15-27)23-19;1-2-19-24-25-20(26(19)12-14-6-8-16(22)9-7-14)5-3-4-17-10-15(21(28)29)11-18(13-27)23-17;1-11-9-14(17(20)21)10-15(19-11)7-6-13-5-4-12-3-2-8-18-16(12)13/h8-14,16H,4-7,15H2,1-3H3,(H,29,30);7-13,15H,4-6,14H2,1-3H3,(H,28,29);6-11,14,29H,2-5,12-13H2,1H3,(H,30,31);2-4,7-8,13-14,27H,5-6,9-12,15H2,1H3,(H,28,29);6-11,27H,2-5,12-13H2,1H3,(H,28,29);2-3,8-10,13H,4-7H2,1H3,(H,20,21)/t;;;;;13-/m.....1/s1.
What are the key properties of 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?
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 has a molecular weight of 2310.69 g/mol, XLogP of 22.44, 50 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160821769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).