2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylbutanoic acid;(2R)-3,3-dimethyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(7-propylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(1-ethylcyclobutyl)acetic acid;(2R)-2-[(3S,4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid

C167H226F2N20O12 — CID 162167214

IUPAC2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylbutanoic acid;(2R)-3,3-dimethyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(7-propylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(1-ethylcyclobutyl)acetic acid;(2R)-2-[(3S,4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid
SMILESCCCc1ccn2c(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(C)c4)CC3)cnc2c1.CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C5(CC)CCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1.CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C(C)(C(=O)O)C(C)C)C[C@@H]2c2cccc(C)c2)CC1.COc1ccn2c(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(C)c4)CC3)cnc2c1.Cc1cccc([C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2CN2CCC(c3cnc4ccc(F)cn34)CC2)c1
InChIInChI=1S/C38H51FN4O3.C35H48N4O2.C33H46N4O2.C31H42N4O3.C30H39FN4O2/c1-4-38(17-8-18-38)36(37(44)45)42-25-30(34(26-42)29-9-7-10-31(39)22-29)24-41-19-15-28(16-20-41)35-23-32(40-43(35)5-2)21-27-11-13-33(14-12-27)46-6-3;1-6-39-33(21-31(36-39)20-27-12-8-7-9-13-27)28-15-17-37(18-16-28)22-30-23-38(35(5,25(2)3)34(40)41)24-32(30)29-14-10-11-26(4)19-29;1-6-8-24-11-16-37-29(19-34-30(37)18-24)25-12-14-35(15-13-25)20-27-21-36(31(32(38)39)33(3,4)5)22-28(27)26-10-7-9-23(2)17-26;1-21-7-6-8-23(15-21)26-20-34(29(30(36)37)31(2,3)4)19-24(26)18-33-12-9-22(10-13-33)27-17-32-28-16-25(38-5)11-14-35(27)28;1-20-6-5-7-22(14-20)25-19-34(28(29(36)37)30(2,3)4)17-23(25)16-33-12-10-21(11-13-33)26-15-32-27-9-8-24(31)18-35(26)27/h7,9-14,22-23,28,30,34,36H,4-6,8,15-21,24-26H2,1-3H3,(H,44,45);7-14,19,21,25,28,30,32H,6,15-18,20,22-24H2,1-5H3,(H,40,41);7,9-11,16-19,25,27-28,31H,6,8,12-15,20-22H2,1-5H3,(H,38,39);6-8,11,14-17,22,24,26,29H,9-10,12-13,18-20H2,1-5H3,(H,36,37);5-9,14-15,18,21,23,25,28H,10-13,16-17,19H2,1-4H3,(H,36,37)/t30-,34+,36-;30-,32+,35?;27-,28+,31-;24-,26+,29-;23-,25+,28-/m00000/s1
InChIKeyZNHFXPLOYIJRFD-VNRKRSTKSA-N
MW2743.77 g/mol
LogP29.37
Rot. Bonds44

About 2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylbutanoic acid;(2R)-3,3-dimethyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(7-propylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(1-ethylcyclobutyl)acetic acid;(2R)-2-[(3S,4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid

2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylbutanoic acid;(2R)-3,3-dimethyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(7-propylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(1-ethylcyclobutyl)acetic acid;(2R)-2-[(3S,4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid (PubChem CID 162167214) has the molecular formula C167H226F2N20O12 and a molecular weight of 2743.77 g/mol. Its IUPAC name is 2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylbutanoic acid;(2R)-3,3-dimethyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(7-propylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(1-ethylcyclobutyl)acetic acid;(2R)-2-[(3S,4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylbutanoic acid;(2R)-3,3-dimethyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(7-propylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(1-ethylcyclobutyl)acetic acid;(2R)-2-[(3S,4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid
PubChem CID162167214
Molecular FormulaC167H226F2N20O12
Molecular Weight2743.77 g/mol
Exact Mass2741.77
IUPAC Name2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylbutanoic acid;(2R)-3,3-dimethyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(7-propylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(1-ethylcyclobutyl)acetic acid;(2R)-2-[(3S,4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid
SMILESCCCc1ccn2c(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(C)c4)CC3)cnc2c1.CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C5(CC)CCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1.CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C(C)(C(=O)O)C(C)C)C[C@@H]2c2cccc(C)c2)CC1.COc1ccn2c(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(C)c4)CC3)cnc2c1.Cc1cccc([C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2CN2CCC(c3cnc4ccc(F)cn34)CC2)c1
InChIInChI=1S/C38H51FN4O3.C35H48N4O2.C33H46N4O2.C31H42N4O3.C30H39FN4O2/c1-4-38(17-8-18-38)36(37(44)45)42-25-30(34(26-42)29-9-7-10-31(39)22-29)24-41-19-15-28(16-20-41)35-23-32(40-43(35)5-2)21-27-11-13-33(14-12-27)46-6-3;1-6-39-33(21-31(36-39)20-27-12-8-7-9-13-27)28-15-17-37(18-16-28)22-30-23-38(35(5,25(2)3)34(40)41)24-32(30)29-14-10-11-26(4)19-29;1-6-8-24-11-16-37-29(19-34-30(37)18-24)25-12-14-35(15-13-25)20-27-21-36(31(32(38)39)33(3,4)5)22-28(27)26-10-7-9-23(2)17-26;1-21-7-6-8-23(15-21)26-20-34(29(30(36)37)31(2,3)4)19-24(26)18-33-12-9-22(10-13-33)27-17-32-28-16-25(38-5)11-14-35(27)28;1-20-6-5-7-22(14-20)25-19-34(28(29(36)37)30(2,3)4)17-23(25)16-33-12-10-21(11-13-33)26-15-32-27-9-8-24(31)18-35(26)27/h7,9-14,22-23,28,30,34,36H,4-6,8,15-21,24-26H2,1-3H3,(H,44,45);7-14,19,21,25,28,30,32H,6,15-18,20,22-24H2,1-5H3,(H,40,41);7,9-11,16-19,25,27-28,31H,6,8,12-15,20-22H2,1-5H3,(H,38,39);6-8,11,14-17,22,24,26,29H,9-10,12-13,18-20H2,1-5H3,(H,36,37);5-9,14-15,18,21,23,25,28H,10-13,16-17,19H2,1-4H3,(H,36,37)/t30-,34+,36-;30-,32+,35?;27-,28+,31-;24-,26+,29-;23-,25+,28-/m00000/s1
InChIKeyZNHFXPLOYIJRFD-VNRKRSTKSA-N
XLogP29.37
TPSA324.90 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds44
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002743.77
LogP ≤ 529.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylbutanoic acid;(2R)-3,3-dimethyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(7-propylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(1-ethylcyclobutyl)acetic acid;(2R)-2-[(3S,4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

6-[2-(2-Ethoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-3,4-dimethylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-phenylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-propan-2-yloxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 157933949
3-(1,1-Difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 160010351
(2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[2,1-b][1,3]thiazol-5-ylpiperidin-1-yl)methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(6-prop-2-enylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-[(3S,4S)-3-[[4-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-methylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-[4-ethyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-methylbutanoic acid;(2R,3R)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid;methane
CID 160756602
6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-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)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol
CID 161110475
1-[3-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 161541706
CID 161955844
CID 161955844
3-[6-[3-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-imidazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;2-[1-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-3-yl]propan-2-ol;1-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol;5-propan-2-yloxy-3-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 162030238
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
4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 157202183
tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 157460150
1-[4-(3-Amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one
CID 157535742
(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxy-3-fluorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[(4-hydroxyphenyl)methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid;(2R,3R)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[(4-phenoxyphenyl)methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid;(2R)-2-[(3S,4S)-3-[[4-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid
CID 157760968

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylbutanoic acid;(2R)-3,3-dimethyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(7-propylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(1-ethylcyclobutyl)acetic acid;(2R)-2-[(3S,4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylbutanoic acid;(2R)-3,3-dimethyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(7-propylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(1-ethylcyclobutyl)acetic acid;(2R)-2-[(3S,4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid (CID 162167214) is 2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylbutanoic acid;(2R)-3,3-dimethyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(7-propylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(1-ethylcyclobutyl)acetic acid;(2R)-2-[(3S,4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylbutanoic acid;(2R)-3,3-dimethyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(7-propylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(1-ethylcyclobutyl)acetic acid;(2R)-2-[(3S,4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylbutanoic acid;(2R)-3,3-dimethyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(7-propylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(1-ethylcyclobutyl)acetic acid;(2R)-2-[(3S,4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid is CCCc1ccn2c(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(C)c4)CC3)cnc2c1.CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C5(CC)CCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1.CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C(C)(C(=O)O)C(C)C)C[C@@H]2c2cccc(C)c2)CC1.COc1ccn2c(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(C)c4)CC3)cnc2c1.Cc1cccc([C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2CN2CCC(c3cnc4ccc(F)cn34)CC2)c1.
What is the InChIKey of 2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylbutanoic acid;(2R)-3,3-dimethyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(7-propylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(1-ethylcyclobutyl)acetic acid;(2R)-2-[(3S,4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid?
The InChIKey is ZNHFXPLOYIJRFD-VNRKRSTKSA-N. The full InChI is InChI=1S/C38H51FN4O3.C35H48N4O2.C33H46N4O2.C31H42N4O3.C30H39FN4O2/c1-4-38(17-8-18-38)36(37(44)45)42-25-30(34(26-42)29-9-7-10-31(39)22-29)24-41-19-15-28(16-20-41)35-23-32(40-43(35)5-2)21-27-11-13-33(14-12-27)46-6-3;1-6-39-33(21-31(36-39)20-27-12-8-7-9-13-27)28-15-17-37(18-16-28)22-30-23-38(35(5,25(2)3)34(40)41)24-32(30)29-14-10-11-26(4)19-29;1-6-8-24-11-16-37-29(19-34-30(37)18-24)25-12-14-35(15-13-25)20-27-21-36(31(32(38)39)33(3,4)5)22-28(27)26-10-7-9-23(2)17-26;1-21-7-6-8-23(15-21)26-20-34(29(30(36)37)31(2,3)4)19-24(26)18-33-12-9-22(10-13-33)27-17-32-28-16-25(38-5)11-14-35(27)28;1-20-6-5-7-22(14-20)25-19-34(28(29(36)37)30(2,3)4)17-23(25)16-33-12-10-21(11-13-33)26-15-32-27-9-8-24(31)18-35(26)27/h7,9-14,22-23,28,30,34,36H,4-6,8,15-21,24-26H2,1-3H3,(H,44,45);7-14,19,21,25,28,30,32H,6,15-18,20,22-24H2,1-5H3,(H,40,41);7,9-11,16-19,25,27-28,31H,6,8,12-15,20-22H2,1-5H3,(H,38,39);6-8,11,14-17,22,24,26,29H,9-10,12-13,18-20H2,1-5H3,(H,36,37);5-9,14-15,18,21,23,25,28H,10-13,16-17,19H2,1-4H3,(H,36,37)/t30-,34+,36-;30-,32+,35?;27-,28+,31-;24-,26+,29-;23-,25+,28-/m00000/s1.
What are the key properties of 2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylbutanoic acid;(2R)-3,3-dimethyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(7-propylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(1-ethylcyclobutyl)acetic acid;(2R)-2-[(3S,4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid?
2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylbutanoic acid;(2R)-3,3-dimethyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(7-propylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(1-ethylcyclobutyl)acetic acid;(2R)-2-[(3S,4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid has a molecular weight of 2743.77 g/mol, XLogP of 29.37, 44 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylbutanoic acid;(2R)-3,3-dimethyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-(7-propylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(1-ethylcyclobutyl)acetic acid;(2R)-2-[(3S,4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 162167214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).