(2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane

C137H186ClF4N11O8 — CID 159835620

IUPAC(2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane
SMILESC.CC(F)(F)c1cc(CCCC2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3cccc(F)c3)CC2)ccc1C#N.Cc1cc(Cl)cc(CCCC2CCN(C[C@H]3CN(C(CC4CCC4)C(=O)O)C[C@@H]3c3ccccc3)CC2)c1.Cc1cc(F)ccc1CCCC1CCN(C[C@H]2CN(C(CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1.O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCc3ccc4nccn4c3)CC2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C36H46F3N3O2.C34H46N4O2.C33H45ClN2O2.C33H45FN2O2.CH4/c1-36(38,39)33-19-26(13-14-29(33)21-40)8-5-7-25-15-17-41(18-16-25)22-30-23-42(24-32(30)28-11-6-12-31(37)20-28)34(35(43)44)27-9-3-2-4-10-27;39-34(40)33(29-12-5-2-6-13-29)38-24-30(31(25-38)28-10-3-1-4-11-28)23-36-19-16-26(17-20-36)8-7-9-27-14-15-32-35-18-21-37(32)22-27;1-24-17-27(19-30(34)18-24)10-5-7-25-13-15-35(16-14-25)21-29-22-36(23-31(29)28-11-3-2-4-12-28)32(33(37)38)20-26-8-6-9-26;1-24-19-30(34)14-13-27(24)12-6-7-25-15-17-35(18-16-25)21-29-22-36(23-31(29)28-10-3-2-4-11-28)32(33(37)38)20-26-8-5-9-26;/h6,11-14,19-20,25,27,30,32,34H,2-5,7-10,15-18,22-24H2,1H3,(H,43,44);1,3-4,10-11,14-15,18,21-22,26,29-31,33H,2,5-9,12-13,16-17,19-20,23-25H2,(H,39,40);2-4,11-12,17-19,25-26,29,31-32H,5-10,13-16,20-23H2,1H3,(H,37,38);2-4,10-11,13-14,19,25-26,29,31-32H,5-9,12,15-18,20-23H2,1H3,(H,37,38);1H4/t30-,32+,34+;30-,31+,33+;2*29-,31+,32?;/m0000./s1
InChIKeyNOALCKCMXJOBIS-SKMJOMHZSA-N
MW2226.51 g/mol
LogP27.92
Rot. Bonds43

About (2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane

(2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane (PubChem CID 159835620) has the molecular formula C137H186ClF4N11O8 and a molecular weight of 2226.51 g/mol. Its IUPAC name is (2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane.

Molecular Properties

Compound Name(2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane
PubChem CID159835620
Molecular FormulaC137H186ClF4N11O8
Molecular Weight2226.51 g/mol
Exact Mass2224.41
IUPAC Name(2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane
SMILESC.CC(F)(F)c1cc(CCCC2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3cccc(F)c3)CC2)ccc1C#N.Cc1cc(Cl)cc(CCCC2CCN(C[C@H]3CN(C(CC4CCC4)C(=O)O)C[C@@H]3c3ccccc3)CC2)c1.Cc1cc(F)ccc1CCCC1CCN(C[C@H]2CN(C(CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1.O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCc3ccc4nccn4c3)CC2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C36H46F3N3O2.C34H46N4O2.C33H45ClN2O2.C33H45FN2O2.CH4/c1-36(38,39)33-19-26(13-14-29(33)21-40)8-5-7-25-15-17-41(18-16-25)22-30-23-42(24-32(30)28-11-6-12-31(37)20-28)34(35(43)44)27-9-3-2-4-10-27;39-34(40)33(29-12-5-2-6-13-29)38-24-30(31(25-38)28-10-3-1-4-11-28)23-36-19-16-26(17-20-36)8-7-9-27-14-15-32-35-18-21-37(32)22-27;1-24-17-27(19-30(34)18-24)10-5-7-25-13-15-35(16-14-25)21-29-22-36(23-31(29)28-11-3-2-4-12-28)32(33(37)38)20-26-8-6-9-26;1-24-19-30(34)14-13-27(24)12-6-7-25-15-17-35(18-16-25)21-29-22-36(23-31(29)28-10-3-2-4-11-28)32(33(37)38)20-26-8-5-9-26;/h6,11-14,19-20,25,27,30,32,34H,2-5,7-10,15-18,22-24H2,1H3,(H,43,44);1,3-4,10-11,14-15,18,21-22,26,29-31,33H,2,5-9,12-13,16-17,19-20,23-25H2,(H,39,40);2-4,11-12,17-19,25-26,29,31-32H,5-10,13-16,20-23H2,1H3,(H,37,38);2-4,10-11,13-14,19,25-26,29,31-32H,5-9,12,15-18,20-23H2,1H3,(H,37,38);1H4/t30-,32+,34+;30-,31+,33+;2*29-,31+,32?;/m0000./s1
InChIKeyNOALCKCMXJOBIS-SKMJOMHZSA-N
XLogP27.92
TPSA216.21 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds43
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002226.51
LogP ≤ 527.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze (2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane with MolForge

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Related Compounds

(2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
CID 91378854
(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-phenylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,4-difluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-difluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(5-fluorobenzimidazol-1-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
CID 157646953
(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-phenylpropyl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,4-difluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-difluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(5-fluorobenzimidazol-1-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;methane
CID 158356067
(2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
CID 158362090
6-[2-(6-Chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;bis(6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid);6-[2-(3-fluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[5-methyl-2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 159553517
(2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;methane
CID 160366824
(2R)-2-[(3S,4S)-3-[[4-[3-(3-cyano-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-[(3S,4S)-3-[[4-[3-(2-cyano-3-methylphenyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-[(3S,4S)-3-[[4-[3-(4-cyano-3-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-[(3S,4S)-3-[[4-[3-(4-cyanophenyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-methylbutanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
CID 91179236
(2R)-2-[(3S,4S)-3-[[4-(4-benzyl-2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-cyclobutylpropanoic acid
CID 91613700
2-[(3S,4S)-3-[[4-[4-benzyl-2-(difluoromethyl)imidazol-1-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-[(3,5-difluorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-3-[(3-fluorophenyl)methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid;methane
CID 160006767
2-[(3S,4S)-3-[[4-[4-benzyl-2-(difluoromethyl)imidazol-1-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-methylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(3-benzyl-1-methylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]pyrrolidin-1-yl]propanoic acid
CID 160714345
(2R)-2-[(3S,4S)-3-[[4-[3-(3-cyano-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-[(3S,4S)-3-[[4-[3-(2-cyano-3-methylphenyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-[(3S,4S)-3-[[4-[3-(4-cyano-3-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-[(3S,4S)-3-[[4-[3-(4-cyanophenyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-methylbutanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;methane
CID 161488425

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane?
The IUPAC name of (2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane (CID 159835620) is (2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane.
What is the SMILES notation for (2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane?
The canonical SMILES for (2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane is C.CC(F)(F)c1cc(CCCC2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3cccc(F)c3)CC2)ccc1C#N.Cc1cc(Cl)cc(CCCC2CCN(C[C@H]3CN(C(CC4CCC4)C(=O)O)C[C@@H]3c3ccccc3)CC2)c1.Cc1cc(F)ccc1CCCC1CCN(C[C@H]2CN(C(CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1.O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCc3ccc4nccn4c3)CC2)[C@@H](c2ccccc2)C1.
What is the InChIKey of (2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane?
The InChIKey is NOALCKCMXJOBIS-SKMJOMHZSA-N. The full InChI is InChI=1S/C36H46F3N3O2.C34H46N4O2.C33H45ClN2O2.C33H45FN2O2.CH4/c1-36(38,39)33-19-26(13-14-29(33)21-40)8-5-7-25-15-17-41(18-16-25)22-30-23-42(24-32(30)28-11-6-12-31(37)20-28)34(35(43)44)27-9-3-2-4-10-27;39-34(40)33(29-12-5-2-6-13-29)38-24-30(31(25-38)28-10-3-1-4-11-28)23-36-19-16-26(17-20-36)8-7-9-27-14-15-32-35-18-21-37(32)22-27;1-24-17-27(19-30(34)18-24)10-5-7-25-13-15-35(16-14-25)21-29-22-36(23-31(29)28-11-3-2-4-12-28)32(33(37)38)20-26-8-6-9-26;1-24-19-30(34)14-13-27(24)12-6-7-25-15-17-35(18-16-25)21-29-22-36(23-31(29)28-10-3-2-4-11-28)32(33(37)38)20-26-8-5-9-26;/h6,11-14,19-20,25,27,30,32,34H,2-5,7-10,15-18,22-24H2,1H3,(H,43,44);1,3-4,10-11,14-15,18,21-22,26,29-31,33H,2,5-9,12-13,16-17,19-20,23-25H2,(H,39,40);2-4,11-12,17-19,25-26,29,31-32H,5-10,13-16,20-23H2,1H3,(H,37,38);2-4,10-11,13-14,19,25-26,29,31-32H,5-9,12,15-18,20-23H2,1H3,(H,37,38);1H4/t30-,32+,34+;30-,31+,33+;2*29-,31+,32?;/m0000./s1.
What are the key properties of (2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane?
(2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane has a molecular weight of 2226.51 g/mol, XLogP of 27.92, 43 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane is sourced from PubChem (CID 159835620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).