(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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane

C156H211F10N15O11 — CID 161011399

IUPAC(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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane
SMILESC.C.Cc1cccc([C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2CN2CCC(CCC(F)(F)c3ccccn3)CC2)c1.Cc1cccc([C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2CN2CCC(CCCc3ccc(F)cn3)CC2)c1.Cc1cccc([C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2CN2CCC(CCCc3ncc(F)cn3)CC2)c1.O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCCc3ccc(C(F)(F)F)nc3)CC2)[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C31H39F4N3O2.C31H41F2N3O2.C31H40F2N2O3.C31H42FN3O2.C30H41FN4O2.2CH4/c32-26-6-2-5-24(16-26)27-20-38(28(30(39)40)15-22-7-8-22)19-25(27)18-37-13-11-21(12-14-37)3-1-4-23-9-10-29(36-17-23)31(33,34)35;1-22-5-4-6-25(17-22)27-21-36(28(30(37)38)18-24-8-9-24)20-26(27)19-35-15-11-23(12-16-35)10-13-31(32,33)29-7-2-3-14-34-29;32-26-9-7-23(8-10-26)30(36)11-6-21-12-14-34(15-13-21)18-25-19-35(29(31(37)38)16-22-4-5-22)20-28(25)24-2-1-3-27(33)17-24;1-22-4-2-6-25(16-22)29-21-35(30(31(36)37)17-24-8-9-24)20-26(29)19-34-14-12-23(13-15-34)5-3-7-28-11-10-27(32)18-33-28;1-21-4-2-6-24(14-21)27-20-35(28(30(36)37)15-23-8-9-23)19-25(27)18-34-12-10-22(11-13-34)5-3-7-29-32-16-26(31)17-33-29;;/h2,5-6,9-10,16-17,21-22,25,27-28H,1,3-4,7-8,11-15,18-20H2,(H,39,40);2-7,14,17,23-24,26-28H,8-13,15-16,18-21H2,1H3,(H,37,38);1-3,7-10,17,21-22,25,28-30,36H,4-6,11-16,18-20H2,(H,37,38);2,4,6,10-11,16,18,23-24,26,29-30H,3,5,7-9,12-15,17,19-21H2,1H3,(H,36,37);2,4,6,14,16-17,22-23,25,27-28H,3,5,7-13,15,18-20H2,1H3,(H,36,37);2*1H4/t25-,27+,28+;26-,27+,28+;25-,28+,29+,30?;26-,29+,30+;25-,27+,28+;;/m00000../s1
InChIKeyTXDXHWMPGSXUNU-FHBAYGPMSA-N
MW2662.48 g/mol
LogP29.38
Rot. Bonds55

About (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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane

(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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane (PubChem CID 161011399) has the molecular formula C156H211F10N15O11 and a molecular weight of 2662.48 g/mol. Its IUPAC name is (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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane.

Molecular Properties

Compound Name(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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane
PubChem CID161011399
Molecular FormulaC156H211F10N15O11
Molecular Weight2662.48 g/mol
Exact Mass2660.63
IUPAC Name(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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane
SMILESC.C.Cc1cccc([C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2CN2CCC(CCC(F)(F)c3ccccn3)CC2)c1.Cc1cccc([C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2CN2CCC(CCCc3ccc(F)cn3)CC2)c1.Cc1cccc([C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2CN2CCC(CCCc3ncc(F)cn3)CC2)c1.O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCCc3ccc(C(F)(F)F)nc3)CC2)[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C31H39F4N3O2.C31H41F2N3O2.C31H40F2N2O3.C31H42FN3O2.C30H41FN4O2.2CH4/c32-26-6-2-5-24(16-26)27-20-38(28(30(39)40)15-22-7-8-22)19-25(27)18-37-13-11-21(12-14-37)3-1-4-23-9-10-29(36-17-23)31(33,34)35;1-22-5-4-6-25(17-22)27-21-36(28(30(37)38)18-24-8-9-24)20-26(27)19-35-15-11-23(12-16-35)10-13-31(32,33)29-7-2-3-14-34-29;32-26-9-7-23(8-10-26)30(36)11-6-21-12-14-34(15-13-21)18-25-19-35(29(31(37)38)16-22-4-5-22)20-28(25)24-2-1-3-27(33)17-24;1-22-4-2-6-25(16-22)29-21-35(30(31(36)37)17-24-8-9-24)20-26(29)19-34-14-12-23(13-15-34)5-3-7-28-11-10-27(32)18-33-28;1-21-4-2-6-24(14-21)27-20-35(28(30(36)37)15-23-8-9-23)19-25(27)18-34-12-10-22(11-13-34)5-3-7-29-32-16-26(31)17-33-29;;/h2,5-6,9-10,16-17,21-22,25,27-28H,1,3-4,7-8,11-15,18-20H2,(H,39,40);2-7,14,17,23-24,26-28H,8-13,15-16,18-21H2,1H3,(H,37,38);1-3,7-10,17,21-22,25,28-30,36H,4-6,11-16,18-20H2,(H,37,38);2,4,6,10-11,16,18,23-24,26,29-30H,3,5,7-9,12-15,17,19-21H2,1H3,(H,36,37);2,4,6,14,16-17,22-23,25,27-28H,3,5,7-13,15,18-20H2,1H3,(H,36,37);2*1H4/t25-,27+,28+;26-,27+,28+;25-,28+,29+,30?;26-,29+,30+;25-,27+,28+;;/m00000../s1
InChIKeyTXDXHWMPGSXUNU-FHBAYGPMSA-N
XLogP29.38
TPSA303.58 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds55
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002662.48
LogP ≤ 529.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze (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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)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)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[2,2-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2S)-3-cyclobutyl-2-[3-[[4-[3-(4-fluorophenyl)propyl]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;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-4-hydroxybutyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid
CID 90879088
2-[(3S,4S)-3-[[4-[3-(4-cyanophenyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]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-(3-fluorophenyl)-4-[[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid
CID 91037708
(2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid
CID 91137970
2-[(3S,4S)-3-[[4-[3-(4-cyanophenyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;bis((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);3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid
CID 91191721
(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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid
CID 91513912
2-[(3S,4S)-3-[[4-[3-(4-cyanophenyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]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-(3-fluorophenyl)-4-[[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;methane
CID 157395957
(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[2,2-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2S)-3-cyclobutyl-2-[3-[[4-[3-(4-fluorophenyl)propyl]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;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-4-hydroxybutyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane
CID 157549537
(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
(E,3R,5S)-7-[4-(2-anilinopyrimidin-4-yl)-2-tert-butyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one
CID 158956725
(E,3R,5S)-7-[4-(2-anilinopyrimidin-4-yl)-2-tert-butyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-anilinopyrimidin-4-yl)-2-tert-butyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(4R,6S)-6-[(E)-2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one
CID 159961807
(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

Frequently Asked Questions

What is the IUPAC name of (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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane?
The IUPAC name of (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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane (CID 161011399) is (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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane.
What is the SMILES notation for (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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane?
The canonical SMILES for (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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane is C.C.Cc1cccc([C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2CN2CCC(CCC(F)(F)c3ccccn3)CC2)c1.Cc1cccc([C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2CN2CCC(CCCc3ccc(F)cn3)CC2)c1.Cc1cccc([C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2CN2CCC(CCCc3ncc(F)cn3)CC2)c1.O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCCc3ccc(C(F)(F)F)nc3)CC2)[C@@H](c2cccc(F)c2)C1.
What is the InChIKey of (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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane?
The InChIKey is TXDXHWMPGSXUNU-FHBAYGPMSA-N. The full InChI is InChI=1S/C31H39F4N3O2.C31H41F2N3O2.C31H40F2N2O3.C31H42FN3O2.C30H41FN4O2.2CH4/c32-26-6-2-5-24(16-26)27-20-38(28(30(39)40)15-22-7-8-22)19-25(27)18-37-13-11-21(12-14-37)3-1-4-23-9-10-29(36-17-23)31(33,34)35;1-22-5-4-6-25(17-22)27-21-36(28(30(37)38)18-24-8-9-24)20-26(27)19-35-15-11-23(12-16-35)10-13-31(32,33)29-7-2-3-14-34-29;32-26-9-7-23(8-10-26)30(36)11-6-21-12-14-34(15-13-21)18-25-19-35(29(31(37)38)16-22-4-5-22)20-28(25)24-2-1-3-27(33)17-24;1-22-4-2-6-25(16-22)29-21-35(30(31(36)37)17-24-8-9-24)20-26(29)19-34-14-12-23(13-15-34)5-3-7-28-11-10-27(32)18-33-28;1-21-4-2-6-24(14-21)27-20-35(28(30(36)37)15-23-8-9-23)19-25(27)18-34-12-10-22(11-13-34)5-3-7-29-32-16-26(31)17-33-29;;/h2,5-6,9-10,16-17,21-22,25,27-28H,1,3-4,7-8,11-15,18-20H2,(H,39,40);2-7,14,17,23-24,26-28H,8-13,15-16,18-21H2,1H3,(H,37,38);1-3,7-10,17,21-22,25,28-30,36H,4-6,11-16,18-20H2,(H,37,38);2,4,6,10-11,16,18,23-24,26,29-30H,3,5,7-9,12-15,17,19-21H2,1H3,(H,36,37);2,4,6,14,16-17,22-23,25,27-28H,3,5,7-13,15,18-20H2,1H3,(H,36,37);2*1H4/t25-,27+,28+;26-,27+,28+;25-,28+,29+,30?;26-,29+,30+;25-,27+,28+;;/m00000../s1.
What are the key properties of (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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane?
(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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane has a molecular weight of 2662.48 g/mol, XLogP of 29.38, 55 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (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-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(5-fluoropyrimidin-2-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane is sourced from PubChem (CID 161011399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).