tert-butyl 4-[(3S)-4-[2-[(3R)-3-[2-(4-hydroxyphenyl)acetyl]pyrrolidin-1-yl]acetyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;(3R)-1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-N-methyl-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide

C207H275N37O28 — CID 158257277

IUPACtert-butyl 4-[(3S)-4-[2-[(3R)-3-[2-(4-hydroxyphenyl)acetyl]pyrrolidin-1-yl]acetyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;(3R)-1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-N-methyl-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESC=C(C)c1ccc(N2CCN(C(=O)CN3CC[C@H](C(=O)N(C)c4ccc(O)cc4)C3)CC2)cc1.C[C@H]1CN(C2(C)CCN(C(=O)OC(C)(C)C)CC2)CCN1C(=O)CN1CC[C@@H](C(=O)Cc2ccc(O)cc2)C1.O=C(Nc1ccc(O)cc1)C1CCN(CC(=O)N2CCCCC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(C3CCCCC3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(c3ccccc3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@H]1CCN(CC(=O)N2CCN(c3ccccc3)CC2)C1.[2H]C([2H])(C(=O)N1CC=C(c2ccc(-c3ncn(CCC)n3)cc2)CC1)N1CC[C@@](OC)(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)C1
InChIInChI=1S/C39H45N9O4.C30H46N4O5.C27H34N4O3.C24H35N5O4.C23H34N4O3.2C23H28N4O3.C18H25N3O3/c1-5-17-48-25-41-37(45-48)29-8-6-27(7-9-29)28-14-18-47(19-15-28)35(49)23-46-20-16-39(24-46,51-4)38(50)42-31-11-12-33-32(21-31)36(44-43-33)30-10-13-34(40-22-30)52-26(2)3;1-22-19-33(30(5)11-14-32(15-12-30)28(38)39-29(2,3)4)16-17-34(22)27(37)21-31-13-10-24(20-31)26(36)18-23-6-8-25(35)9-7-23;1-20(2)21-4-6-24(7-5-21)30-14-16-31(17-15-30)26(33)19-29-13-12-22(18-29)27(34)28(3)23-8-10-25(32)11-9-23;30-21-6-4-20(5-7-21)25-24(33)19-8-11-27(16-19)18-23(32)29-14-12-26(13-15-29)17-22(31)28-9-2-1-3-10-28;3*28-21-8-6-19(7-9-21)24-23(30)18-10-11-25(16-18)17-22(29)27-14-12-26(13-15-27)20-4-2-1-3-5-20;22-16-6-4-15(5-7-16)19-18(24)14-8-11-20(12-14)13-17(23)21-9-2-1-3-10-21/h6-14,21-22,25-26H,5,15-20,23-24H2,1-4H3,(H,42,50)(H,43,44);6-9,22,24,35H,10-21H2,1-5H3;4-11,22,32H,1,12-19H2,2-3H3;4-7,19,30H,1-3,8-18H2,(H,25,33);6-9,18,20,28H,1-5,10-17H2,(H,24,30);2*1-9,18,28H,10-17H2,(H,24,30);4-7,14,22H,1-3,8-13H2,(H,19,24)/t39-;22-,24+;22-;19-;3*18-;/m0001110./s1/i23D2;;;;;;;
InChIKeyGHLAUYNKIADARB-KWTWZXHVSA-N
MW3731.72 g/mol
LogP20.24
Rot. Bonds49

About tert-butyl 4-[(3S)-4-[2-[(3R)-3-[2-(4-hydroxyphenyl)acetyl]pyrrolidin-1-yl]acetyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;(3R)-1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-N-methyl-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide

tert-butyl 4-[(3S)-4-[2-[(3R)-3-[2-(4-hydroxyphenyl)acetyl]pyrrolidin-1-yl]acetyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;(3R)-1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-N-methyl-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 158257277) has the molecular formula C207H275N37O28 and a molecular weight of 3731.72 g/mol. Its IUPAC name is tert-butyl 4-[(3S)-4-[2-[(3R)-3-[2-(4-hydroxyphenyl)acetyl]pyrrolidin-1-yl]acetyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;(3R)-1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-N-methyl-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Nametert-butyl 4-[(3S)-4-[2-[(3R)-3-[2-(4-hydroxyphenyl)acetyl]pyrrolidin-1-yl]acetyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;(3R)-1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-N-methyl-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
PubChem CID158257277
Molecular FormulaC207H275N37O28
Molecular Weight3731.72 g/mol
Exact Mass3729.14
IUPAC Nametert-butyl 4-[(3S)-4-[2-[(3R)-3-[2-(4-hydroxyphenyl)acetyl]pyrrolidin-1-yl]acetyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;(3R)-1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-N-methyl-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESC=C(C)c1ccc(N2CCN(C(=O)CN3CC[C@H](C(=O)N(C)c4ccc(O)cc4)C3)CC2)cc1.C[C@H]1CN(C2(C)CCN(C(=O)OC(C)(C)C)CC2)CCN1C(=O)CN1CC[C@@H](C(=O)Cc2ccc(O)cc2)C1.O=C(Nc1ccc(O)cc1)C1CCN(CC(=O)N2CCCCC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(C3CCCCC3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(c3ccccc3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@H]1CCN(CC(=O)N2CCN(c3ccccc3)CC2)C1.[2H]C([2H])(C(=O)N1CC=C(c2ccc(-c3ncn(CCC)n3)cc2)CC1)N1CC[C@@](OC)(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)C1
InChIInChI=1S/C39H45N9O4.C30H46N4O5.C27H34N4O3.C24H35N5O4.C23H34N4O3.2C23H28N4O3.C18H25N3O3/c1-5-17-48-25-41-37(45-48)29-8-6-27(7-9-29)28-14-18-47(19-15-28)35(49)23-46-20-16-39(24-46,51-4)38(50)42-31-11-12-33-32(21-31)36(44-43-33)30-10-13-34(40-22-30)52-26(2)3;1-22-19-33(30(5)11-14-32(15-12-30)28(38)39-29(2,3)4)16-17-34(22)27(37)21-31-13-10-24(20-31)26(36)18-23-6-8-25(35)9-7-23;1-20(2)21-4-6-24(7-5-21)30-14-16-31(17-15-30)26(33)19-29-13-12-22(18-29)27(34)28(3)23-8-10-25(32)11-9-23;30-21-6-4-20(5-7-21)25-24(33)19-8-11-27(16-19)18-23(32)29-14-12-26(13-15-29)17-22(31)28-9-2-1-3-10-28;3*28-21-8-6-19(7-9-21)24-23(30)18-10-11-25(16-18)17-22(29)27-14-12-26(13-15-27)20-4-2-1-3-5-20;22-16-6-4-15(5-7-16)19-18(24)14-8-11-20(12-14)13-17(23)21-9-2-1-3-10-21/h6-14,21-22,25-26H,5,15-20,23-24H2,1-4H3,(H,42,50)(H,43,44);6-9,22,24,35H,10-21H2,1-5H3;4-11,22,32H,1,12-19H2,2-3H3;4-7,19,30H,1-3,8-18H2,(H,25,33);6-9,18,20,28H,1-5,10-17H2,(H,24,30);2*1-9,18,28H,10-17H2,(H,24,30);4-7,14,22H,1-3,8-13H2,(H,19,24)/t39-;22-,24+;22-;19-;3*18-;/m0001110./s1/i23D2;;;;;;;
InChIKeyGHLAUYNKIADARB-KWTWZXHVSA-N
XLogP20.24
TPSA702.02 Ų
H-Bond Donors14
H-Bond Acceptors47
Rotatable Bonds49
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003731.72
LogP ≤ 520.24
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1047

Analyze tert-butyl 4-[(3S)-4-[2-[(3R)-3-[2-(4-hydroxyphenyl)acetyl]pyrrolidin-1-yl]acetyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;(3R)-1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-N-methyl-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3S)-4-[2-[(3R)-3-[2-(4-hydroxyphenyl)acetyl]pyrrolidin-1-yl]acetyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;(3R)-1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-N-methyl-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of tert-butyl 4-[(3S)-4-[2-[(3R)-3-[2-(4-hydroxyphenyl)acetyl]pyrrolidin-1-yl]acetyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;(3R)-1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-N-methyl-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide (CID 158257277) is tert-butyl 4-[(3S)-4-[2-[(3R)-3-[2-(4-hydroxyphenyl)acetyl]pyrrolidin-1-yl]acetyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;(3R)-1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-N-methyl-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for tert-butyl 4-[(3S)-4-[2-[(3R)-3-[2-(4-hydroxyphenyl)acetyl]pyrrolidin-1-yl]acetyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;(3R)-1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-N-methyl-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for tert-butyl 4-[(3S)-4-[2-[(3R)-3-[2-(4-hydroxyphenyl)acetyl]pyrrolidin-1-yl]acetyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;(3R)-1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-N-methyl-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide is C=C(C)c1ccc(N2CCN(C(=O)CN3CC[C@H](C(=O)N(C)c4ccc(O)cc4)C3)CC2)cc1.C[C@H]1CN(C2(C)CCN(C(=O)OC(C)(C)C)CC2)CCN1C(=O)CN1CC[C@@H](C(=O)Cc2ccc(O)cc2)C1.O=C(Nc1ccc(O)cc1)C1CCN(CC(=O)N2CCCCC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(C3CCCCC3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(c3ccccc3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@H]1CCN(CC(=O)N2CCN(c3ccccc3)CC2)C1.[2H]C([2H])(C(=O)N1CC=C(c2ccc(-c3ncn(CCC)n3)cc2)CC1)N1CC[C@@](OC)(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)C1.
What is the InChIKey of tert-butyl 4-[(3S)-4-[2-[(3R)-3-[2-(4-hydroxyphenyl)acetyl]pyrrolidin-1-yl]acetyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;(3R)-1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-N-methyl-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is GHLAUYNKIADARB-KWTWZXHVSA-N. The full InChI is InChI=1S/C39H45N9O4.C30H46N4O5.C27H34N4O3.C24H35N5O4.C23H34N4O3.2C23H28N4O3.C18H25N3O3/c1-5-17-48-25-41-37(45-48)29-8-6-27(7-9-29)28-14-18-47(19-15-28)35(49)23-46-20-16-39(24-46,51-4)38(50)42-31-11-12-33-32(21-31)36(44-43-33)30-10-13-34(40-22-30)52-26(2)3;1-22-19-33(30(5)11-14-32(15-12-30)28(38)39-29(2,3)4)16-17-34(22)27(37)21-31-13-10-24(20-31)26(36)18-23-6-8-25(35)9-7-23;1-20(2)21-4-6-24(7-5-21)30-14-16-31(17-15-30)26(33)19-29-13-12-22(18-29)27(34)28(3)23-8-10-25(32)11-9-23;30-21-6-4-20(5-7-21)25-24(33)19-8-11-27(16-19)18-23(32)29-14-12-26(13-15-29)17-22(31)28-9-2-1-3-10-28;3*28-21-8-6-19(7-9-21)24-23(30)18-10-11-25(16-18)17-22(29)27-14-12-26(13-15-27)20-4-2-1-3-5-20;22-16-6-4-15(5-7-16)19-18(24)14-8-11-20(12-14)13-17(23)21-9-2-1-3-10-21/h6-14,21-22,25-26H,5,15-20,23-24H2,1-4H3,(H,42,50)(H,43,44);6-9,22,24,35H,10-21H2,1-5H3;4-11,22,32H,1,12-19H2,2-3H3;4-7,19,30H,1-3,8-18H2,(H,25,33);6-9,18,20,28H,1-5,10-17H2,(H,24,30);2*1-9,18,28H,10-17H2,(H,24,30);4-7,14,22H,1-3,8-13H2,(H,19,24)/t39-;22-,24+;22-;19-;3*18-;/m0001110./s1/i23D2;;;;;;;.
What are the key properties of tert-butyl 4-[(3S)-4-[2-[(3R)-3-[2-(4-hydroxyphenyl)acetyl]pyrrolidin-1-yl]acetyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;(3R)-1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-N-methyl-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
tert-butyl 4-[(3S)-4-[2-[(3R)-3-[2-(4-hydroxyphenyl)acetyl]pyrrolidin-1-yl]acetyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;(3R)-1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-N-methyl-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 3731.72 g/mol, XLogP of 20.24, 49 rotatable bonds, 14 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3S)-4-[2-[(3R)-3-[2-(4-hydroxyphenyl)acetyl]pyrrolidin-1-yl]acetyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate;(3R)-1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3S)-1-[1,1-dideuterio-2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-N-methyl-1-[2-oxo-2-[4-(4-prop-1-en-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3S)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 158257277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).