1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide

C175H207N33O23S — CID 158396326

IUPAC1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1cc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(c4ccc(-c5ncccn5)cc4)CC3)C2)ccc1O.C[C@H]1CN(C2(C)CCN(C(=O)c3ccnc4ccccc34)CC2)CCN1C(=O)CN1CCC(C(=O)Nc2ccc(O)cc2)C1.Cc1ccc(C(=O)C2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.O=C(Nc1ccc(O)cc1)C1CCN(CC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)C1.O=C(Nc1ccc(O)cc1)C1CCN(CC(=O)N2CCC(n3nnc4ccccc43)CC2)C1.[2H]C([2H])(C(=O)N1CC=C(c2ccc(-c3ncn(C)n3)cc2)CC1)N1CC[C@@](OC)(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)C1
InChIInChI=1S/C37H41N9O4.C34H42N6O4.C30H36N6O3.C26H31N3O4.C24H28N6O3.C24H29N3O5S/c1-24(2)50-32-12-9-28(20-38-32)34-30-19-29(10-11-31(30)41-42-34)40-36(48)37(49-4)15-18-45(22-37)21-33(47)46-16-13-26(14-17-46)25-5-7-27(8-6-25)35-39-23-44(3)43-35;1-24-21-39(34(2)13-17-38(18-14-34)33(44)29-11-15-35-30-6-4-3-5-28(29)30)19-20-40(24)31(42)23-37-16-12-25(22-37)32(43)36-26-7-9-27(41)10-8-26;1-21(2)26-18-24(6-9-27(26)37)33-30(39)23-10-13-34(19-23)20-28(38)36-16-14-35(15-17-36)25-7-4-22(5-8-25)29-31-11-3-12-32-29;1-18-2-4-19(5-3-18)25(32)20-11-14-29(15-12-20)24(31)17-28-13-10-21(16-28)26(33)27-22-6-8-23(30)9-7-22;31-20-7-5-18(6-8-20)25-24(33)17-9-12-28(15-17)16-23(32)29-13-10-19(11-14-29)30-22-4-2-1-3-21(22)26-27-30;28-20-8-6-19(7-9-20)25-24(30)18-10-13-26(16-18)17-23(29)27-14-11-22(12-15-27)33(31,32)21-4-2-1-3-5-21/h5-13,19-20,23-24H,14-18,21-22H2,1-4H3,(H,40,48)(H,41,42);3-11,15,24-25,41H,12-14,16-23H2,1-2H3,(H,36,43);3-9,11-12,18,21,23,37H,10,13-17,19-20H2,1-2H3,(H,33,39);2-9,20-21,30H,10-17H2,1H3,(H,27,33);1-8,17,19,31H,9-16H2,(H,25,33);1-9,18,22,28H,10-17H2,(H,25,30)/t37-;24-,25?;23-;;;/m001.../s1/i21D2;;;;;
InChIKeyGXOWQPSZVIBQQM-OSGYYWNCSA-N
MW3174.87 g/mol
LogP19.02
Rot. Bonds40

About 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide

1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 158396326) has the molecular formula C175H207N33O23S and a molecular weight of 3174.87 g/mol. Its IUPAC name is 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
PubChem CID158396326
Molecular FormulaC175H207N33O23S
Molecular Weight3174.87 g/mol
Exact Mass3172.59
IUPAC Name1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1cc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(c4ccc(-c5ncccn5)cc4)CC3)C2)ccc1O.C[C@H]1CN(C2(C)CCN(C(=O)c3ccnc4ccccc34)CC2)CCN1C(=O)CN1CCC(C(=O)Nc2ccc(O)cc2)C1.Cc1ccc(C(=O)C2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.O=C(Nc1ccc(O)cc1)C1CCN(CC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)C1.O=C(Nc1ccc(O)cc1)C1CCN(CC(=O)N2CCC(n3nnc4ccccc43)CC2)C1.[2H]C([2H])(C(=O)N1CC=C(c2ccc(-c3ncn(C)n3)cc2)CC1)N1CC[C@@](OC)(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)C1
InChIInChI=1S/C37H41N9O4.C34H42N6O4.C30H36N6O3.C26H31N3O4.C24H28N6O3.C24H29N3O5S/c1-24(2)50-32-12-9-28(20-38-32)34-30-19-29(10-11-31(30)41-42-34)40-36(48)37(49-4)15-18-45(22-37)21-33(47)46-16-13-26(14-17-46)25-5-7-27(8-6-25)35-39-23-44(3)43-35;1-24-21-39(34(2)13-17-38(18-14-34)33(44)29-11-15-35-30-6-4-3-5-28(29)30)19-20-40(24)31(42)23-37-16-12-25(22-37)32(43)36-26-7-9-27(41)10-8-26;1-21(2)26-18-24(6-9-27(26)37)33-30(39)23-10-13-34(19-23)20-28(38)36-16-14-35(15-17-36)25-7-4-22(5-8-25)29-31-11-3-12-32-29;1-18-2-4-19(5-3-18)25(32)20-11-14-29(15-12-20)24(31)17-28-13-10-21(16-28)26(33)27-22-6-8-23(30)9-7-22;31-20-7-5-18(6-8-20)25-24(33)17-9-12-28(15-17)16-23(32)29-13-10-19(11-14-29)30-22-4-2-1-3-21(22)26-27-30;28-20-8-6-19(7-9-20)25-24(30)18-10-13-26(16-18)17-23(29)27-14-11-22(12-15-27)33(31,32)21-4-2-1-3-5-21/h5-13,19-20,23-24H,14-18,21-22H2,1-4H3,(H,40,48)(H,41,42);3-11,15,24-25,41H,12-14,16-23H2,1-2H3,(H,36,43);3-9,11-12,18,21,23,37H,10,13-17,19-20H2,1-2H3,(H,33,39);2-9,20-21,30H,10-17H2,1H3,(H,27,33);1-8,17,19,31H,9-16H2,(H,25,33);1-9,18,22,28H,10-17H2,(H,25,30)/t37-;24-,25?;23-;;;/m001.../s1/i21D2;;;;;
InChIKeyGXOWQPSZVIBQQM-OSGYYWNCSA-N
XLogP19.02
TPSA655.17 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds40
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003174.87
LogP ≤ 519.02
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

3-(aminomethyl)-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;2-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazolo[5,4-g]quinazolin-6-yl]-3-methoxypyrrolidin-1-yl]-1-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethanone;(3S)-3-methoxy-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-oxo-1H-pyridin-3-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-[5-(3-methyl-6-oxopyridazin-1-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 161013686
1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 161550816
CID 157944026
CID 157944026
N-[5-[(3,5-difluorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[6-[(3,5-difluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)sulfonylmethyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
CID 158109217
CID 158257277
CID 158257277
6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;6-ethylsulfonyl-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]oxyethyl]propanamide;6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]hex-3-en-2-one
CID 158661415
CID 159070651
CID 159070651
6-ethoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;6-ethylsulfinyl-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;1-methoxy-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;1-methyl-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]imidazolidin-2-one;2-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-1-(oxan-4-yl)ethanone;1-[2-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxyethyl]pyrrolidin-2-one
CID 159151204
CID 159163335
CID 159163335
1-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-[4-[4-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-oxo-1H-pyridin-3-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 159360472
CID 159375620
CID 159375620
CID 159393101
CID 159393101

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide (CID 158396326) is 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide is CC(C)c1cc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(c4ccc(-c5ncccn5)cc4)CC3)C2)ccc1O.C[C@H]1CN(C2(C)CCN(C(=O)c3ccnc4ccccc34)CC2)CCN1C(=O)CN1CCC(C(=O)Nc2ccc(O)cc2)C1.Cc1ccc(C(=O)C2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.O=C(Nc1ccc(O)cc1)C1CCN(CC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)C1.O=C(Nc1ccc(O)cc1)C1CCN(CC(=O)N2CCC(n3nnc4ccccc43)CC2)C1.[2H]C([2H])(C(=O)N1CC=C(c2ccc(-c3ncn(C)n3)cc2)CC1)N1CC[C@@](OC)(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)C1.
What is the InChIKey of 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is GXOWQPSZVIBQQM-OSGYYWNCSA-N. The full InChI is InChI=1S/C37H41N9O4.C34H42N6O4.C30H36N6O3.C26H31N3O4.C24H28N6O3.C24H29N3O5S/c1-24(2)50-32-12-9-28(20-38-32)34-30-19-29(10-11-31(30)41-42-34)40-36(48)37(49-4)15-18-45(22-37)21-33(47)46-16-13-26(14-17-46)25-5-7-27(8-6-25)35-39-23-44(3)43-35;1-24-21-39(34(2)13-17-38(18-14-34)33(44)29-11-15-35-30-6-4-3-5-28(29)30)19-20-40(24)31(42)23-37-16-12-25(22-37)32(43)36-26-7-9-27(41)10-8-26;1-21(2)26-18-24(6-9-27(26)37)33-30(39)23-10-13-34(19-23)20-28(38)36-16-14-35(15-17-36)25-7-4-22(5-8-25)29-31-11-3-12-32-29;1-18-2-4-19(5-3-18)25(32)20-11-14-29(15-12-20)24(31)17-28-13-10-21(16-28)26(33)27-22-6-8-23(30)9-7-22;31-20-7-5-18(6-8-20)25-24(33)17-9-12-28(15-17)16-23(32)29-13-10-19(11-14-29)30-22-4-2-1-3-21(22)26-27-30;28-20-8-6-19(7-9-20)25-24(30)18-10-13-26(16-18)17-23(29)27-14-11-22(12-15-27)33(31,32)21-4-2-1-3-5-21/h5-13,19-20,23-24H,14-18,21-22H2,1-4H3,(H,40,48)(H,41,42);3-11,15,24-25,41H,12-14,16-23H2,1-2H3,(H,36,43);3-9,11-12,18,21,23,37H,10,13-17,19-20H2,1-2H3,(H,33,39);2-9,20-21,30H,10-17H2,1H3,(H,27,33);1-8,17,19,31H,9-16H2,(H,25,33);1-9,18,22,28H,10-17H2,(H,25,30)/t37-;24-,25?;23-;;;/m001.../s1/i21D2;;;;;.
What are the key properties of 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide?
1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 3174.87 g/mol, XLogP of 19.02, 40 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[(2S)-2-methyl-4-[4-methyl-1-(quinoline-4-carbonyl)piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-3-propan-2-ylphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 158396326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).