(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane

C160H231F4N17O10 — CID 161163626

IUPAC(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane
SMILESC.C.C.C.Cc1ccc(CCCC2CCN(C[C@H]3CN(C(CC4CCC4)C(=O)O)C[C@@H]3c3ccccc3)CC2)nn1.Cc1cccc([C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2CN2CCC(CCCc3cnc(C)cn3)CC2)c1.Cn1ccnc1CCCC1CCN(C[C@H]2CN(C(CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1.O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC3CCc4ccccc43)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccccn3)CC2)[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C33H43FN2O2.C31H40F3N3O2.2C31H44N4O2.C30H44N4O2.4CH4/c34-29-6-3-5-27(19-29)31-22-36(32(33(37)38)18-24-8-9-24)21-28(31)20-35-16-14-23(15-17-35)10-11-26-13-12-25-4-1-2-7-30(25)26;32-26-8-4-7-24(18-26)27-21-37(28(30(38)39)17-23-5-3-6-23)20-25(27)19-36-15-11-22(12-16-36)10-13-31(33,34)29-9-1-2-14-35-29;1-22-5-3-7-26(15-22)29-21-35(30(31(36)37)16-25-9-10-25)20-27(29)19-34-13-11-24(12-14-34)6-4-8-28-18-32-23(2)17-33-28;1-23-13-14-28(33-32-23)12-6-7-24-15-17-34(18-16-24)20-27-21-35(22-29(27)26-10-3-2-4-11-26)30(31(36)37)19-25-8-5-9-25;1-32-18-15-31-29(32)12-6-7-23-13-16-33(17-14-23)20-26-21-34(22-27(26)25-10-3-2-4-11-25)28(30(35)36)19-24-8-5-9-24;;;;/h1-7,19,23-24,26,28,31-32H,8-18,20-22H2,(H,37,38);1-2,4,7-9,14,18,22-23,25,27-28H,3,5-6,10-13,15-17,19-21H2,(H,38,39);3,5,7,15,17-18,24-25,27,29-30H,4,6,8-14,16,19-21H2,1-2H3,(H,36,37);2-4,10-11,13-14,24-25,27,29-30H,5-9,12,15-22H2,1H3,(H,36,37);2-4,10-11,15,18,23-24,26-28H,5-9,12-14,16-17,19-22H2,1H3,(H,35,36);4*1H4/t26?,28-,31+,32+;25-,27+,28+;27-,29+,30+;27-,29+,30?;26-,27+,28?;;;;/m00000..../s1
InChIKeyUQFXQKKQJPJPRO-KRGUPTEUSA-N
MW2628.71 g/mol
LogP30.11
Rot. Bonds54

About (2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane

(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane (PubChem CID 161163626) has the molecular formula C160H231F4N17O10 and a molecular weight of 2628.71 g/mol. Its IUPAC name is (2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane.

Molecular Properties

Compound Name(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane
PubChem CID161163626
Molecular FormulaC160H231F4N17O10
Molecular Weight2628.71 g/mol
Exact Mass2626.80
IUPAC Name(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane
SMILESC.C.C.C.Cc1ccc(CCCC2CCN(C[C@H]3CN(C(CC4CCC4)C(=O)O)C[C@@H]3c3ccccc3)CC2)nn1.Cc1cccc([C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2CN2CCC(CCCc3cnc(C)cn3)CC2)c1.Cn1ccnc1CCCC1CCN(C[C@H]2CN(C(CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1.O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC3CCc4ccccc43)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccccn3)CC2)[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C33H43FN2O2.C31H40F3N3O2.2C31H44N4O2.C30H44N4O2.4CH4/c34-29-6-3-5-27(19-29)31-22-36(32(33(37)38)18-24-8-9-24)21-28(31)20-35-16-14-23(15-17-35)10-11-26-13-12-25-4-1-2-7-30(25)26;32-26-8-4-7-24(18-26)27-21-37(28(30(38)39)17-23-5-3-6-23)20-25(27)19-36-15-11-22(12-16-36)10-13-31(33,34)29-9-1-2-14-35-29;1-22-5-3-7-26(15-22)29-21-35(30(31(36)37)16-25-9-10-25)20-27(29)19-34-13-11-24(12-14-34)6-4-8-28-18-32-23(2)17-33-28;1-23-13-14-28(33-32-23)12-6-7-24-15-17-34(18-16-24)20-27-21-35(22-29(27)26-10-3-2-4-11-26)30(31(36)37)19-25-8-5-9-25;1-32-18-15-31-29(32)12-6-7-23-13-16-33(17-14-23)20-26-21-34(22-27(26)25-10-3-2-4-11-25)28(30(35)36)19-24-8-5-9-24;;;;/h1-7,19,23-24,26,28,31-32H,8-18,20-22H2,(H,37,38);1-2,4,7-9,14,18,22-23,25,27-28H,3,5-6,10-13,15-17,19-21H2,(H,38,39);3,5,7,15,17-18,24-25,27,29-30H,4,6,8-14,16,19-21H2,1-2H3,(H,36,37);2-4,10-11,13-14,24-25,27,29-30H,5-9,12,15-22H2,1H3,(H,36,37);2-4,10-11,15,18,23-24,26-28H,5-9,12-14,16-17,19-22H2,1H3,(H,35,36);4*1H4/t26?,28-,31+,32+;25-,27+,28+;27-,29+,30+;27-,29+,30?;26-,27+,28?;;;;/m00000..../s1
InChIKeyUQFXQKKQJPJPRO-KRGUPTEUSA-N
XLogP30.11
TPSA301.17 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds54
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002628.71
LogP ≤ 530.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze (2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane with MolForge

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Related Compounds

(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyrimidin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid
CID 90823402
(2R)-2-[(3S,4S)-3-[[4-[3-(benzimidazol-1-yl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[(1-benzylcyclopropyl)methyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopentyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid
CID 157235432
(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-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyrimidin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;methane
CID 157651004
(2R)-2-[(3S,4S)-3-[[4-(benzimidazol-1-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-(2-fluorophenyl)-4-[[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
CID 158247774
(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)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-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-fluorophenyl)-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
CID 160110761
(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-(benzimidazol-1-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[(1-benzylcyclopropyl)methyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopentyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane
CID 160496654
(2R)-2-[(3S,4S)-3-[[4-(benzimidazol-1-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
CID 161211445
(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid
CID 161485185
(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[6-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(4S)-3-phenyl-4-[[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[4-(2-phenylethyl)-1-propylpyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic acid;(2R)-3-methyl-2-[(3S,4S)-3-phenyl-4-[[4-[4-(2-phenylethyl)-1-propylpyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid
CID 161733430

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane?
The IUPAC name of (2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane (CID 161163626) is (2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane.
What is the SMILES notation for (2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane?
The canonical SMILES for (2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane is C.C.C.C.Cc1ccc(CCCC2CCN(C[C@H]3CN(C(CC4CCC4)C(=O)O)C[C@@H]3c3ccccc3)CC2)nn1.Cc1cccc([C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2CN2CCC(CCCc3cnc(C)cn3)CC2)c1.Cn1ccnc1CCCC1CCN(C[C@H]2CN(C(CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1.O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC3CCc4ccccc43)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccccn3)CC2)[C@@H](c2cccc(F)c2)C1.
What is the InChIKey of (2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane?
The InChIKey is UQFXQKKQJPJPRO-KRGUPTEUSA-N. The full InChI is InChI=1S/C33H43FN2O2.C31H40F3N3O2.2C31H44N4O2.C30H44N4O2.4CH4/c34-29-6-3-5-27(19-29)31-22-36(32(33(37)38)18-24-8-9-24)21-28(31)20-35-16-14-23(15-17-35)10-11-26-13-12-25-4-1-2-7-30(25)26;32-26-8-4-7-24(18-26)27-21-37(28(30(38)39)17-23-5-3-6-23)20-25(27)19-36-15-11-22(12-16-36)10-13-31(33,34)29-9-1-2-14-35-29;1-22-5-3-7-26(15-22)29-21-35(30(31(36)37)16-25-9-10-25)20-27(29)19-34-13-11-24(12-14-34)6-4-8-28-18-32-23(2)17-33-28;1-23-13-14-28(33-32-23)12-6-7-24-15-17-34(18-16-24)20-27-21-35(22-29(27)26-10-3-2-4-11-26)30(31(36)37)19-25-8-5-9-25;1-32-18-15-31-29(32)12-6-7-23-13-16-33(17-14-23)20-26-21-34(22-27(26)25-10-3-2-4-11-25)28(30(35)36)19-24-8-5-9-24;;;;/h1-7,19,23-24,26,28,31-32H,8-18,20-22H2,(H,37,38);1-2,4,7-9,14,18,22-23,25,27-28H,3,5-6,10-13,15-17,19-21H2,(H,38,39);3,5,7,15,17-18,24-25,27,29-30H,4,6,8-14,16,19-21H2,1-2H3,(H,36,37);2-4,10-11,13-14,24-25,27,29-30H,5-9,12,15-22H2,1H3,(H,36,37);2-4,10-11,15,18,23-24,26-28H,5-9,12-14,16-17,19-22H2,1H3,(H,35,36);4*1H4/t26?,28-,31+,32+;25-,27+,28+;27-,29+,30+;27-,29+,30?;26-,27+,28?;;;;/m00000..../s1.
What are the key properties of (2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane?
(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane has a molecular weight of 2628.71 g/mol, XLogP of 30.11, 54 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(1-methylimidazol-2-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(6-methylpyridazin-3-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[3-(5-methylpyrazin-2-yl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane is sourced from PubChem (CID 161163626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).