(2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid

C156H216FN23O11 — CID 162056123

IUPAC(2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid
SMILESCCCN(c1cccnc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CCCN(c1nccc(-c2ccccc2)n1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1.O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(Nc3ncccn3)CC2)[C@@H](c2ccccc2)C1.O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(Oc3ncccn3)CC2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C37H49N5O2.C32H46N4O2.C31H44FN5O2.C28H39N5O2.C28H38N4O3/c1-2-22-42(37-38-21-18-34(39-37)29-14-8-4-9-15-29)32-19-23-40(24-20-32)25-31-26-41(27-33(31)28-12-6-3-7-13-28)35(36(43)44)30-16-10-5-11-17-30;1-2-18-36(29-14-9-17-33-21-29)28-15-19-34(20-16-28)22-27-23-35(24-30(27)25-10-5-3-6-11-25)31(32(37)38)26-12-7-4-8-13-26;1-2-16-37(31-33-14-7-15-34-31)27-12-17-35(18-13-27)20-25-21-36(22-28(25)24-10-6-11-26(32)19-24)29(30(38)39)23-8-4-3-5-9-23;34-27(35)26(22-10-5-2-6-11-22)33-19-23(25(20-33)21-8-3-1-4-9-21)18-32-16-12-24(13-17-32)31-28-29-14-7-15-30-28;33-27(34)26(22-10-5-2-6-11-22)32-19-23(25(20-32)21-8-3-1-4-9-21)18-31-16-12-24(13-17-31)35-28-29-14-7-15-30-28/h3-4,6-9,12-15,18,21,30-33,35H,2,5,10-11,16-17,19-20,22-27H2,1H3,(H,43,44);3,5-6,9-11,14,17,21,26-28,30-31H,2,4,7-8,12-13,15-16,18-20,22-24H2,1H3,(H,37,38);6-7,10-11,14-15,19,23,25,27-29H,2-5,8-9,12-13,16-18,20-22H2,1H3,(H,38,39);1,3-4,7-9,14-15,22-26H,2,5-6,10-13,16-20H2,(H,34,35)(H,29,30,31);1,3-4,7-9,14-15,22-26H,2,5-6,10-13,16-20H2,(H,33,34)/t31-,33+,35+;27-,30+,31+;25-,28+,29+;2*23-,25+,26+/m00000/s1
InChIKeyYZEXGJGBSCBZPS-IHWYMWHBSA-N
MW2608.59 g/mol
LogP25.30
Rot. Bonds47

About (2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid

(2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid (PubChem CID 162056123) has the molecular formula C156H216FN23O11 and a molecular weight of 2608.59 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid
PubChem CID162056123
Molecular FormulaC156H216FN23O11
Molecular Weight2608.59 g/mol
Exact Mass2606.70
IUPAC Name(2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid
SMILESCCCN(c1cccnc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CCCN(c1nccc(-c2ccccc2)n1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1.O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(Nc3ncccn3)CC2)[C@@H](c2ccccc2)C1.O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(Oc3ncccn3)CC2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C37H49N5O2.C32H46N4O2.C31H44FN5O2.C28H39N5O2.C28H38N4O3/c1-2-22-42(37-38-21-18-34(39-37)29-14-8-4-9-15-29)32-19-23-40(24-20-32)25-31-26-41(27-33(31)28-12-6-3-7-13-28)35(36(43)44)30-16-10-5-11-17-30;1-2-18-36(29-14-9-17-33-21-29)28-15-19-34(20-16-28)22-27-23-35(24-30(27)25-10-5-3-6-11-25)31(32(37)38)26-12-7-4-8-13-26;1-2-16-37(31-33-14-7-15-34-31)27-12-17-35(18-13-27)20-25-21-36(22-28(25)24-10-6-11-26(32)19-24)29(30(38)39)23-8-4-3-5-9-23;34-27(35)26(22-10-5-2-6-11-22)33-19-23(25(20-33)21-8-3-1-4-9-21)18-32-16-12-24(13-17-32)31-28-29-14-7-15-30-28;33-27(34)26(22-10-5-2-6-11-22)32-19-23(25(20-32)21-8-3-1-4-9-21)18-31-16-12-24(13-17-31)35-28-29-14-7-15-30-28/h3-4,6-9,12-15,18,21,30-33,35H,2,5,10-11,16-17,19-20,22-27H2,1H3,(H,43,44);3,5-6,9-11,14,17,21,26-28,30-31H,2,4,7-8,12-13,15-16,18-20,22-24H2,1H3,(H,37,38);6-7,10-11,14-15,19,23,25,27-29H,2-5,8-9,12-13,16-18,20-22H2,1H3,(H,38,39);1,3-4,7-9,14-15,22-26H,2,5-6,10-13,16-20H2,(H,34,35)(H,29,30,31);1,3-4,7-9,14-15,22-26H,2,5-6,10-13,16-20H2,(H,33,34)/t31-,33+,35+;27-,30+,31+;25-,28+,29+;2*23-,25+,26+/m00000/s1
InChIKeyYZEXGJGBSCBZPS-IHWYMWHBSA-N
XLogP25.30
TPSA365.89 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds47
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002608.59
LogP ≤ 525.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze (2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid with MolForge

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Related Compounds

(2S)-3-[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]propanoic acid
CID 58011180
(2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-ethylpyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propanoic acid
CID 58090996
(2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-[[2-(diethylamino)-5-ethylpyrimidin-4-yl]amino]-3-hydroperoxy-3-oxopropyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propanoic acid
CID 58091050
(2S)-3-[4-[1-[2-[2-[2-[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-(trifluoromethylamino)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]propanoic acid
CID 59664526
(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-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
(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(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-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one
CID 157093544
(3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-2-tert-butyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid;(3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)imidazol-1-yl]ethyl]-4-hydroxyoxan-2-one;(3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one
CID 157488252
CID 157572109
CID 157572109
(2S)-3-[4-[3-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxymethyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-1-yl]phenyl]-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]propanoic acid;(2S)-3-[4-[3-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-carboxy-2-[[5-[methyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxymethyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-1-yl]phenyl]-2-[[5-[methyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]amino]propanoic acid
CID 157575443
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of (2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid (CID 162056123) is (2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for (2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for (2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid is CCCN(c1cccnc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CCCN(c1nccc(-c2ccccc2)n1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1.O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(Nc3ncccn3)CC2)[C@@H](c2ccccc2)C1.O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(Oc3ncccn3)CC2)[C@@H](c2ccccc2)C1.
What is the InChIKey of (2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid?
The InChIKey is YZEXGJGBSCBZPS-IHWYMWHBSA-N. The full InChI is InChI=1S/C37H49N5O2.C32H46N4O2.C31H44FN5O2.C28H39N5O2.C28H38N4O3/c1-2-22-42(37-38-21-18-34(39-37)29-14-8-4-9-15-29)32-19-23-40(24-20-32)25-31-26-41(27-33(31)28-12-6-3-7-13-28)35(36(43)44)30-16-10-5-11-17-30;1-2-18-36(29-14-9-17-33-21-29)28-15-19-34(20-16-28)22-27-23-35(24-30(27)25-10-5-3-6-11-25)31(32(37)38)26-12-7-4-8-13-26;1-2-16-37(31-33-14-7-15-34-31)27-12-17-35(18-13-27)20-25-21-36(22-28(25)24-10-6-11-26(32)19-24)29(30(38)39)23-8-4-3-5-9-23;34-27(35)26(22-10-5-2-6-11-22)33-19-23(25(20-33)21-8-3-1-4-9-21)18-32-16-12-24(13-17-32)31-28-29-14-7-15-30-28;33-27(34)26(22-10-5-2-6-11-22)32-19-23(25(20-32)21-8-3-1-4-9-21)18-31-16-12-24(13-17-31)35-28-29-14-7-15-30-28/h3-4,6-9,12-15,18,21,30-33,35H,2,5,10-11,16-17,19-20,22-27H2,1H3,(H,43,44);3,5-6,9-11,14,17,21,26-28,30-31H,2,4,7-8,12-13,15-16,18-20,22-24H2,1H3,(H,37,38);6-7,10-11,14-15,19,23,25,27-29H,2-5,8-9,12-13,16-18,20-22H2,1H3,(H,38,39);1,3-4,7-9,14-15,22-26H,2,5-6,10-13,16-20H2,(H,34,35)(H,29,30,31);1,3-4,7-9,14-15,22-26H,2,5-6,10-13,16-20H2,(H,33,34)/t31-,33+,35+;27-,30+,31+;25-,28+,29+;2*23-,25+,26+/m00000/s1.
What are the key properties of (2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid?
(2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 2608.59 g/mol, XLogP of 25.30, 47 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 162056123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).