(3R)-1-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-2-methylphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;[6-[4-[2-[3-[(4-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide

C209H255ClN39O26S+ — CID 160649959

IUPAC(3R)-1-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-2-methylphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;[6-[4-[2-[3-[(4-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
SMILESC=C(C)c1ccc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)cc4C)C3)CC2)cc1.C[N+](=O)c1ccc(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)nc1.Cc1ccc(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.Cc1cccc(N2CCN(C(=O)C(C)N3CC[C@@H](C(=O)Nc4ccc(O)cc4)C3)CC2)c1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(C(=O)c3ccccc3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@H]1CCN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1.[2H]C([2H])(C(=O)N1CC=C(c2ccc(-c3ncn(C(C)C)n3)cc2)CC1)N1CC[C@@](SC)(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)C1
InChIInChI=1S/C39H45N9O3S.C27H34N4O3.C25H32N4O3.C24H28N4O4.2C24H30N4O3.C23H27ClN4O3.C23H28N6O4/c1-25(2)48-24-41-37(45-48)29-8-6-27(7-9-29)28-14-17-47(18-15-28)35(49)22-46-19-16-39(23-46,52-5)38(50)42-31-11-12-33-32(20-31)36(44-43-33)30-10-13-34(40-21-30)51-26(3)4;1-19(2)21-4-6-23(7-5-21)30-12-14-31(15-13-30)26(33)18-29-11-10-22(17-29)27(34)28-25-9-8-24(32)16-20(25)3;1-18-4-3-5-22(16-18)27-12-14-28(15-13-27)25(32)19(2)29-11-10-20(17-29)24(31)26-21-6-8-23(30)9-7-21;29-21-8-6-20(7-9-21)25-23(31)19-10-11-26(16-19)17-22(30)27-12-14-28(15-13-27)24(32)18-4-2-1-3-5-18;1-18-2-6-21(7-3-18)27-12-14-28(15-13-27)23(30)17-26-11-10-19(16-26)24(31)25-20-4-8-22(29)9-5-20;29-22-8-6-21(7-9-22)25-24(31)20-10-11-27(17-20)18-23(30)28-14-12-26(13-15-28)16-19-4-2-1-3-5-19;24-18-2-1-3-20(14-18)27-10-12-28(13-11-27)22(30)16-26-9-8-17(15-26)23(31)25-19-4-6-21(29)7-5-19;1-26(33)19-4-7-21(24-14-19)28-10-12-29(13-11-28)22(31)16-27-9-8-17(15-27)23(32)25-18-2-5-20(30)6-3-18/h6-14,20-21,24-26H,15-19,22-23H2,1-5H3,(H,42,50)(H,43,44);4-9,16,22,32H,1,10-15,17-18H2,2-3H3,(H,28,34);3-9,16,19-20,30H,10-15,17H2,1-2H3,(H,26,31);1-9,19,29H,10-17H2,(H,25,31);2-9,19,29H,10-17H2,1H3,(H,25,31);1-9,20,29H,10-18H2,(H,25,31);1-7,14,17,29H,8-13,15-16H2,(H,25,31);2-7,14,17H,8-13,15-16H2,1H3,(H-,25,30,32)/p+1/t39-;22-;19?,20-;19-;;20-;17-;/m0111.10./s1/i22D2;;;;;;;
InChIKeyRKHDIHUTINGJKL-PFJRHKMNSA-O
MW3799.12 g/mol
LogP22.39
Rot. Bonds49

About (3R)-1-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-2-methylphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;[6-[4-[2-[3-[(4-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide

(3R)-1-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-2-methylphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;[6-[4-[2-[3-[(4-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 160649959) has the molecular formula C209H255ClN39O26S+ and a molecular weight of 3799.12 g/mol. Its IUPAC name is (3R)-1-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-2-methylphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;[6-[4-[2-[3-[(4-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-2-methylphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;[6-[4-[2-[3-[(4-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
PubChem CID160649959
Molecular FormulaC209H255ClN39O26S+
Molecular Weight3799.12 g/mol
Exact Mass3795.94
IUPAC Name(3R)-1-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-2-methylphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;[6-[4-[2-[3-[(4-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
SMILESC=C(C)c1ccc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)cc4C)C3)CC2)cc1.C[N+](=O)c1ccc(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)nc1.Cc1ccc(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.Cc1cccc(N2CCN(C(=O)C(C)N3CC[C@@H](C(=O)Nc4ccc(O)cc4)C3)CC2)c1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(C(=O)c3ccccc3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@H]1CCN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1.[2H]C([2H])(C(=O)N1CC=C(c2ccc(-c3ncn(C(C)C)n3)cc2)CC1)N1CC[C@@](SC)(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)C1
InChIInChI=1S/C39H45N9O3S.C27H34N4O3.C25H32N4O3.C24H28N4O4.2C24H30N4O3.C23H27ClN4O3.C23H28N6O4/c1-25(2)48-24-41-37(45-48)29-8-6-27(7-9-29)28-14-17-47(18-15-28)35(49)22-46-19-16-39(23-46,52-5)38(50)42-31-11-12-33-32(20-31)36(44-43-33)30-10-13-34(40-21-30)51-26(3)4;1-19(2)21-4-6-23(7-5-21)30-12-14-31(15-13-30)26(33)18-29-11-10-22(17-29)27(34)28-25-9-8-24(32)16-20(25)3;1-18-4-3-5-22(16-18)27-12-14-28(15-13-27)25(32)19(2)29-11-10-20(17-29)24(31)26-21-6-8-23(30)9-7-21;29-21-8-6-20(7-9-21)25-23(31)19-10-11-26(16-19)17-22(30)27-12-14-28(15-13-27)24(32)18-4-2-1-3-5-18;1-18-2-6-21(7-3-18)27-12-14-28(15-13-27)23(30)17-26-11-10-19(16-26)24(31)25-20-4-8-22(29)9-5-20;29-22-8-6-21(7-9-22)25-24(31)20-10-11-27(17-20)18-23(30)28-14-12-26(13-15-28)16-19-4-2-1-3-5-19;24-18-2-1-3-20(14-18)27-10-12-28(13-11-27)22(30)16-26-9-8-17(15-26)23(31)25-19-4-6-21(29)7-5-19;1-26(33)19-4-7-21(24-14-19)28-10-12-29(13-11-28)22(31)16-27-9-8-17(15-27)23(32)25-18-2-5-20(30)6-3-18/h6-14,20-21,24-26H,15-19,22-23H2,1-5H3,(H,42,50)(H,43,44);4-9,16,22,32H,1,10-15,17-18H2,2-3H3,(H,28,34);3-9,16,19-20,30H,10-15,17H2,1-2H3,(H,26,31);1-9,19,29H,10-17H2,(H,25,31);2-9,19,29H,10-17H2,1H3,(H,25,31);1-9,20,29H,10-18H2,(H,25,31);1-7,14,17,29H,8-13,15-16H2,(H,25,31);2-7,14,17H,8-13,15-16H2,1H3,(H-,25,30,32)/p+1/t39-;22-;19?,20-;19-;;20-;17-;/m0111.10./s1/i22D2;;;;;;;
InChIKeyRKHDIHUTINGJKL-PFJRHKMNSA-O
XLogP22.39
TPSA717.04 Ų
H-Bond Donors16
H-Bond Acceptors47
Rotatable Bonds49
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003799.12
LogP ≤ 522.39
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1047

Analyze (3R)-1-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-2-methylphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;[6-[4-[2-[3-[(4-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-2-methylphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;[6-[4-[2-[3-[(4-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-2-methylphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;[6-[4-[2-[3-[(4-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide (CID 160649959) is (3R)-1-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-2-methylphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;[6-[4-[2-[3-[(4-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-2-methylphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;[6-[4-[2-[3-[(4-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-2-methylphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;[6-[4-[2-[3-[(4-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide is C=C(C)c1ccc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)cc4C)C3)CC2)cc1.C[N+](=O)c1ccc(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)nc1.Cc1ccc(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.Cc1cccc(N2CCN(C(=O)C(C)N3CC[C@@H](C(=O)Nc4ccc(O)cc4)C3)CC2)c1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(C(=O)c3ccccc3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@H]1CCN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1.[2H]C([2H])(C(=O)N1CC=C(c2ccc(-c3ncn(C(C)C)n3)cc2)CC1)N1CC[C@@](SC)(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)C1.
What is the InChIKey of (3R)-1-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-2-methylphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;[6-[4-[2-[3-[(4-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is RKHDIHUTINGJKL-PFJRHKMNSA-O. The full InChI is InChI=1S/C39H45N9O3S.C27H34N4O3.C25H32N4O3.C24H28N4O4.2C24H30N4O3.C23H27ClN4O3.C23H28N6O4/c1-25(2)48-24-41-37(45-48)29-8-6-27(7-9-29)28-14-17-47(18-15-28)35(49)22-46-19-16-39(23-46,52-5)38(50)42-31-11-12-33-32(20-31)36(44-43-33)30-10-13-34(40-21-30)51-26(3)4;1-19(2)21-4-6-23(7-5-21)30-12-14-31(15-13-30)26(33)18-29-11-10-22(17-29)27(34)28-25-9-8-24(32)16-20(25)3;1-18-4-3-5-22(16-18)27-12-14-28(15-13-27)25(32)19(2)29-11-10-20(17-29)24(31)26-21-6-8-23(30)9-7-21;29-21-8-6-20(7-9-21)25-23(31)19-10-11-26(16-19)17-22(30)27-12-14-28(15-13-27)24(32)18-4-2-1-3-5-18;1-18-2-6-21(7-3-18)27-12-14-28(15-13-27)23(30)17-26-11-10-19(16-26)24(31)25-20-4-8-22(29)9-5-20;29-22-8-6-21(7-9-22)25-24(31)20-10-11-27(17-20)18-23(30)28-14-12-26(13-15-28)16-19-4-2-1-3-5-19;24-18-2-1-3-20(14-18)27-10-12-28(13-11-27)22(30)16-26-9-8-17(15-26)23(31)25-19-4-6-21(29)7-5-19;1-26(33)19-4-7-21(24-14-19)28-10-12-29(13-11-28)22(31)16-27-9-8-17(15-27)23(32)25-18-2-5-20(30)6-3-18/h6-14,20-21,24-26H,15-19,22-23H2,1-5H3,(H,42,50)(H,43,44);4-9,16,22,32H,1,10-15,17-18H2,2-3H3,(H,28,34);3-9,16,19-20,30H,10-15,17H2,1-2H3,(H,26,31);1-9,19,29H,10-17H2,(H,25,31);2-9,19,29H,10-17H2,1H3,(H,25,31);1-9,20,29H,10-18H2,(H,25,31);1-7,14,17,29H,8-13,15-16H2,(H,25,31);2-7,14,17H,8-13,15-16H2,1H3,(H-,25,30,32)/p+1/t39-;22-;19?,20-;19-;;20-;17-;/m0111.10./s1/i22D2;;;;;;;.
What are the key properties of (3R)-1-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-2-methylphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;[6-[4-[2-[3-[(4-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide?
(3R)-1-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-2-methylphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;[6-[4-[2-[3-[(4-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 3799.12 g/mol, XLogP of 22.39, 49 rotatable bonds, 16 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylsulfanyl-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxy-2-methylphenyl)-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;[6-[4-[2-[3-[(4-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 160649959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).