(3S,4R)-4-acetamido-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[4-(2-acetylpyrrol-1-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrazol-1-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide

C207H238Cl8N40O27S — CID 158602404

IUPAC(3S,4R)-4-acetamido-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[4-(2-acetylpyrrol-1-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrazol-1-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
SMILESCC(=O)N[C@H]1CN(CC(=O)N2CCN(c3cccc(C)c3)CC2)C[C@@H]1C(=O)Nc1ccc(O)c(Cl)c1.CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)c(Cl)c4)C3)CC2)cc1.CC(=O)c1cccn1-c1ccc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)c(Cl)c4)C3)CC2)cc1.Cc1cc(C)cc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)c(Cl)c4)C3)CC2)c1.Cc1cccc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)c(Cl)c4)C3)CC2)c1.O=C(Nc1ccc(O)c(Cl)c1)[C@@H]1CCN(CC(=O)N2CCN(c3ccc(-n4cccn4)cc3)CC2)C1.O=C(Nc1ccc(O)c(Cl)c1)[C@@H]1CCN(CC(=O)N2CCN(c3cccc(-c4ncccn4)c3)CC2)C1.O=C(Nc1ccc(O)c(Cl)c1)[C@@H]1CCN(CC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)C1
InChIInChI=1S/C29H32ClN5O4.C27H29ClN6O3.C26H29ClN6O3.C26H32ClN5O4.C25H27ClN6O3S.C25H29ClN4O4.C25H31ClN4O3.C24H29ClN4O3/c1-20(36)26-3-2-11-35(26)24-7-5-23(6-8-24)33-13-15-34(16-14-33)28(38)19-32-12-10-21(18-32)29(39)31-22-4-9-27(37)25(30)17-22;28-23-16-21(5-6-24(23)35)31-27(37)20-7-10-32(17-20)18-25(36)34-13-11-33(12-14-34)22-4-1-3-19(15-22)26-29-8-2-9-30-26;27-23-16-20(2-7-24(23)34)29-26(36)19-8-11-30(17-19)18-25(35)32-14-12-31(13-15-32)21-3-5-22(6-4-21)33-10-1-9-28-33;1-17-4-3-5-20(12-17)31-8-10-32(11-9-31)25(35)16-30-14-21(23(15-30)28-18(2)33)26(36)29-19-6-7-24(34)22(27)13-19;26-20-14-19(6-7-21(20)33)27-24(35)18-8-9-30(15-18)16-22(34)31-10-12-32(13-11-31)25-28-23(29-36-25)17-4-2-1-3-5-17;1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20;1-17-11-18(2)13-21(12-17)29-7-9-30(10-8-29)24(32)16-28-6-5-19(15-28)25(33)27-20-3-4-23(31)22(26)14-20;1-17-3-2-4-20(13-17)28-9-11-29(12-10-28)23(31)16-27-8-7-18(15-27)24(32)26-19-5-6-22(30)21(25)14-19/h2-9,11,17,21,37H,10,12-16,18-19H2,1H3,(H,31,39);1-6,8-9,15-16,20,35H,7,10-14,17-18H2,(H,31,37);1-7,9-10,16,19,34H,8,11-15,17-18H2,(H,29,36);3-7,12-13,21,23,34H,8-11,14-16H2,1-2H3,(H,28,33)(H,29,36);1-7,14,18,33H,8-13,15-16H2,(H,27,35);2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34);3-4,11-14,19,31H,5-10,15-16H2,1-2H3,(H,27,33);2-6,13-14,18,30H,7-12,15-16H2,1H3,(H,26,32)/t21-;20-;19-;21-,23-;18-;2*19-;18-/m11101111/s1
InChIKeyHVUNZEVFORWNNL-RDEAPXPFSA-N
MW4034.12 g/mol
LogP23.94
Rot. Bonds47

About (3S,4R)-4-acetamido-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[4-(2-acetylpyrrol-1-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrazol-1-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide

(3S,4R)-4-acetamido-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[4-(2-acetylpyrrol-1-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrazol-1-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 158602404) has the molecular formula C207H238Cl8N40O27S and a molecular weight of 4034.12 g/mol. Its IUPAC name is (3S,4R)-4-acetamido-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[4-(2-acetylpyrrol-1-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrazol-1-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-4-acetamido-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[4-(2-acetylpyrrol-1-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrazol-1-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
PubChem CID158602404
Molecular FormulaC207H238Cl8N40O27S
Molecular Weight4034.12 g/mol
Exact Mass4027.57
IUPAC Name(3S,4R)-4-acetamido-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[4-(2-acetylpyrrol-1-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrazol-1-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
SMILESCC(=O)N[C@H]1CN(CC(=O)N2CCN(c3cccc(C)c3)CC2)C[C@@H]1C(=O)Nc1ccc(O)c(Cl)c1.CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)c(Cl)c4)C3)CC2)cc1.CC(=O)c1cccn1-c1ccc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)c(Cl)c4)C3)CC2)cc1.Cc1cc(C)cc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)c(Cl)c4)C3)CC2)c1.Cc1cccc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)c(Cl)c4)C3)CC2)c1.O=C(Nc1ccc(O)c(Cl)c1)[C@@H]1CCN(CC(=O)N2CCN(c3ccc(-n4cccn4)cc3)CC2)C1.O=C(Nc1ccc(O)c(Cl)c1)[C@@H]1CCN(CC(=O)N2CCN(c3cccc(-c4ncccn4)c3)CC2)C1.O=C(Nc1ccc(O)c(Cl)c1)[C@@H]1CCN(CC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)C1
InChIInChI=1S/C29H32ClN5O4.C27H29ClN6O3.C26H29ClN6O3.C26H32ClN5O4.C25H27ClN6O3S.C25H29ClN4O4.C25H31ClN4O3.C24H29ClN4O3/c1-20(36)26-3-2-11-35(26)24-7-5-23(6-8-24)33-13-15-34(16-14-33)28(38)19-32-12-10-21(18-32)29(39)31-22-4-9-27(37)25(30)17-22;28-23-16-21(5-6-24(23)35)31-27(37)20-7-10-32(17-20)18-25(36)34-13-11-33(12-14-34)22-4-1-3-19(15-22)26-29-8-2-9-30-26;27-23-16-20(2-7-24(23)34)29-26(36)19-8-11-30(17-19)18-25(35)32-14-12-31(13-15-32)21-3-5-22(6-4-21)33-10-1-9-28-33;1-17-4-3-5-20(12-17)31-8-10-32(11-9-31)25(35)16-30-14-21(23(15-30)28-18(2)33)26(36)29-19-6-7-24(34)22(27)13-19;26-20-14-19(6-7-21(20)33)27-24(35)18-8-9-30(15-18)16-22(34)31-10-12-32(13-11-31)25-28-23(29-36-25)17-4-2-1-3-5-17;1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20;1-17-11-18(2)13-21(12-17)29-7-9-30(10-8-29)24(32)16-28-6-5-19(15-28)25(33)27-20-3-4-23(31)22(26)14-20;1-17-3-2-4-20(13-17)28-9-11-29(12-10-28)23(31)16-27-8-7-18(15-27)24(32)26-19-5-6-22(30)21(25)14-19/h2-9,11,17,21,37H,10,12-16,18-19H2,1H3,(H,31,39);1-6,8-9,15-16,20,35H,7,10-14,17-18H2,(H,31,37);1-7,9-10,16,19,34H,8,11-15,17-18H2,(H,29,36);3-7,12-13,21,23,34H,8-11,14-16H2,1-2H3,(H,28,33)(H,29,36);1-7,14,18,33H,8-13,15-16H2,(H,27,35);2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34);3-4,11-14,19,31H,5-10,15-16H2,1-2H3,(H,27,33);2-6,13-14,18,30H,7-12,15-16H2,1H3,(H,26,32)/t21-;20-;19-;21-,23-;18-;2*19-;18-/m11101111/s1
InChIKeyHVUNZEVFORWNNL-RDEAPXPFSA-N
XLogP23.94
TPSA746.51 Ų
H-Bond Donors17
H-Bond Acceptors51
Rotatable Bonds47
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004034.12
LogP ≤ 523.94
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1051

Analyze (3S,4R)-4-acetamido-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[4-(2-acetylpyrrol-1-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrazol-1-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 58985189
(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 58985201
(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-[4-(5-cyclopropylpyrimidin-2-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 24996695
(3R)-1-[2-[4-[3-(1-benzofuran-2-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 58985161
(3R)-N-(4-hydroxy-3-methylphenyl)-1-[2-oxo-2-[4-(4-phenylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 159500587
(3R)-1-[2-[4-(4-bromophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 118721299
(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 24866313
(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidin-1-ium-3-carboxamide
CID 117072208
N-butyl-5-[[(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide
CID 58946499
1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24568541
N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 58985273
(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 58985278

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-acetamido-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[4-(2-acetylpyrrol-1-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrazol-1-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-4-acetamido-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[4-(2-acetylpyrrol-1-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrazol-1-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide (CID 158602404) is (3S,4R)-4-acetamido-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[4-(2-acetylpyrrol-1-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrazol-1-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-4-acetamido-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[4-(2-acetylpyrrol-1-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrazol-1-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-4-acetamido-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[4-(2-acetylpyrrol-1-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrazol-1-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide is CC(=O)N[C@H]1CN(CC(=O)N2CCN(c3cccc(C)c3)CC2)C[C@@H]1C(=O)Nc1ccc(O)c(Cl)c1.CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)c(Cl)c4)C3)CC2)cc1.CC(=O)c1cccn1-c1ccc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)c(Cl)c4)C3)CC2)cc1.Cc1cc(C)cc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)c(Cl)c4)C3)CC2)c1.Cc1cccc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)c(Cl)c4)C3)CC2)c1.O=C(Nc1ccc(O)c(Cl)c1)[C@@H]1CCN(CC(=O)N2CCN(c3ccc(-n4cccn4)cc3)CC2)C1.O=C(Nc1ccc(O)c(Cl)c1)[C@@H]1CCN(CC(=O)N2CCN(c3cccc(-c4ncccn4)c3)CC2)C1.O=C(Nc1ccc(O)c(Cl)c1)[C@@H]1CCN(CC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)C1.
What is the InChIKey of (3S,4R)-4-acetamido-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[4-(2-acetylpyrrol-1-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrazol-1-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is HVUNZEVFORWNNL-RDEAPXPFSA-N. The full InChI is InChI=1S/C29H32ClN5O4.C27H29ClN6O3.C26H29ClN6O3.C26H32ClN5O4.C25H27ClN6O3S.C25H29ClN4O4.C25H31ClN4O3.C24H29ClN4O3/c1-20(36)26-3-2-11-35(26)24-7-5-23(6-8-24)33-13-15-34(16-14-33)28(38)19-32-12-10-21(18-32)29(39)31-22-4-9-27(37)25(30)17-22;28-23-16-21(5-6-24(23)35)31-27(37)20-7-10-32(17-20)18-25(36)34-13-11-33(12-14-34)22-4-1-3-19(15-22)26-29-8-2-9-30-26;27-23-16-20(2-7-24(23)34)29-26(36)19-8-11-30(17-19)18-25(35)32-14-12-31(13-15-32)21-3-5-22(6-4-21)33-10-1-9-28-33;1-17-4-3-5-20(12-17)31-8-10-32(11-9-31)25(35)16-30-14-21(23(15-30)28-18(2)33)26(36)29-19-6-7-24(34)22(27)13-19;26-20-14-19(6-7-21(20)33)27-24(35)18-8-9-30(15-18)16-22(34)31-10-12-32(13-11-31)25-28-23(29-36-25)17-4-2-1-3-5-17;1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20;1-17-11-18(2)13-21(12-17)29-7-9-30(10-8-29)24(32)16-28-6-5-19(15-28)25(33)27-20-3-4-23(31)22(26)14-20;1-17-3-2-4-20(13-17)28-9-11-29(12-10-28)23(31)16-27-8-7-18(15-27)24(32)26-19-5-6-22(30)21(25)14-19/h2-9,11,17,21,37H,10,12-16,18-19H2,1H3,(H,31,39);1-6,8-9,15-16,20,35H,7,10-14,17-18H2,(H,31,37);1-7,9-10,16,19,34H,8,11-15,17-18H2,(H,29,36);3-7,12-13,21,23,34H,8-11,14-16H2,1-2H3,(H,28,33)(H,29,36);1-7,14,18,33H,8-13,15-16H2,(H,27,35);2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34);3-4,11-14,19,31H,5-10,15-16H2,1-2H3,(H,27,33);2-6,13-14,18,30H,7-12,15-16H2,1H3,(H,26,32)/t21-;20-;19-;21-,23-;18-;2*19-;18-/m11101111/s1.
What are the key properties of (3S,4R)-4-acetamido-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[4-(2-acetylpyrrol-1-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrazol-1-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide?
(3S,4R)-4-acetamido-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[4-(2-acetylpyrrol-1-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrazol-1-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 4034.12 g/mol, XLogP of 23.94, 47 rotatable bonds, 17 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-acetamido-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-[4-(2-acetylpyrrol-1-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrazol-1-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(3-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 158602404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).