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-λ6-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

C149H183N33O21S — CID 159360472

IUPAC1-[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-λ6-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
SMILESC=S(C)(=O)c1ccc(N2CCN(C(=O)CN3CC[C@H](C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(=O)[nH]c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncn(C)n4)cc3)CC2)C1.Cc1ccc(C)c(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)c1.O=C(Nc1ccc(O)cc1)C1CCN(CC(=O)N2CCC(N3CCCCC3=O)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(c3cnccn3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C34H35N9O4.C25H32N4O4S.C25H32N4O3.C23H32N4O4.2C21H26N6O3/c1-41-21-36-32(40-41)24-5-3-22(4-6-24)23-11-14-43(15-12-23)30(45)19-42-16-13-34(20-42,47-2)33(46)37-26-8-9-28-27(17-26)31(39-38-28)25-7-10-29(44)35-18-25;1-34(2,33)23-9-5-21(6-10-23)28-13-15-29(16-14-28)24(31)18-27-12-11-19(17-27)25(32)26-20-3-7-22(30)8-4-20;1-18-3-4-19(2)23(15-18)28-11-13-29(14-12-28)24(31)17-27-10-9-20(16-27)25(32)26-21-5-7-22(30)8-6-21;28-20-6-4-18(5-7-20)24-23(31)17-8-12-25(15-17)16-22(30)26-13-9-19(10-14-26)27-11-2-1-3-21(27)29;28-18-4-2-17(3-5-18)24-20(30)16-6-9-25(14-16)15-19(29)26-10-12-27(13-11-26)21-22-7-1-8-23-21;28-18-3-1-17(2-4-18)24-21(30)16-5-8-25(14-16)15-20(29)27-11-9-26(10-12-27)19-13-22-6-7-23-19/h3-11,17-18,21H,12-16,19-20H2,1-2H3,(H,35,44)(H,37,46)(H,38,39);3-10,19,30H,1,11-18H2,2H3,(H,26,32);3-8,15,20,30H,9-14,16-17H2,1-2H3,(H,26,32);4-7,17,19,28H,1-3,8-16H2,(H,24,31);1-5,7-8,16,28H,6,9-15H2,(H,24,30);1-4,6-7,13,16,28H,5,8-12,14-15H2,(H,24,30)/t34-;19-,34?;;;2*16-/m00..11/s1
InChIKeyLILYWILBJVRIRY-GOWNMXEMSA-N
MW2804.38 g/mol
LogP10.62
Rot. Bonds34

About 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-λ6-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

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-λ6-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 (PubChem CID 159360472) has the molecular formula C149H183N33O21S and a molecular weight of 2804.38 g/mol. Its IUPAC name is 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-λ6-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.

Molecular Properties

Compound Name1-[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-λ6-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
PubChem CID159360472
Molecular FormulaC149H183N33O21S
Molecular Weight2804.38 g/mol
Exact Mass2802.40
IUPAC Name1-[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-λ6-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
SMILESC=S(C)(=O)c1ccc(N2CCN(C(=O)CN3CC[C@H](C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(=O)[nH]c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncn(C)n4)cc3)CC2)C1.Cc1ccc(C)c(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)c1.O=C(Nc1ccc(O)cc1)C1CCN(CC(=O)N2CCC(N3CCCCC3=O)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(c3cnccn3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C34H35N9O4.C25H32N4O4S.C25H32N4O3.C23H32N4O4.2C21H26N6O3/c1-41-21-36-32(40-41)24-5-3-22(4-6-24)23-11-14-43(15-12-23)30(45)19-42-16-13-34(20-42,47-2)33(46)37-26-8-9-28-27(17-26)31(39-38-28)25-7-10-29(44)35-18-25;1-34(2,33)23-9-5-21(6-10-23)28-13-15-29(16-14-28)24(31)18-27-12-11-19(17-27)25(32)26-20-3-7-22(30)8-4-20;1-18-3-4-19(2)23(15-18)28-11-13-29(14-12-28)24(31)17-27-10-9-20(16-27)25(32)26-21-5-7-22(30)8-6-21;28-20-6-4-18(5-7-20)24-23(31)17-8-12-25(15-17)16-22(30)26-13-9-19(10-14-26)27-11-2-1-3-21(27)29;28-18-4-2-17(3-5-18)24-20(30)16-6-9-25(14-16)15-19(29)26-10-12-27(13-11-26)21-22-7-1-8-23-21;28-18-3-1-17(2-4-18)24-21(30)16-5-8-25(14-16)15-20(29)27-11-9-26(10-12-27)19-13-22-6-7-23-19/h3-11,17-18,21H,12-16,19-20H2,1-2H3,(H,35,44)(H,37,46)(H,38,39);3-10,19,30H,1,11-18H2,2H3,(H,26,32);3-8,15,20,30H,9-14,16-17H2,1-2H3,(H,26,32);4-7,17,19,28H,1-3,8-16H2,(H,24,31);1-5,7-8,16,28H,6,9-15H2,(H,24,30);1-4,6-7,13,16,28H,5,8-12,14-15H2,(H,24,30)/t34-;19-,34?;;;2*16-/m00..11/s1
InChIKeyLILYWILBJVRIRY-GOWNMXEMSA-N
XLogP10.62
TPSA620.43 Ų
H-Bond Donors13
H-Bond Acceptors39
Rotatable Bonds34
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002804.38
LogP ≤ 510.62
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 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-λ6-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 with MolForge

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Launch Full Analysis

Related Compounds

CID 157944026
CID 157944026
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
CID 159375620
CID 159375620
CID 159393101
CID 159393101
CID 160457935
CID 160457935
N-[4-[4-[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide;(E)-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-(1-methylimidazol-2-yl)hex-5-ene-1,4-dione;N-[2-[[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]methylamino]-2-oxoethyl]prop-2-enamide
CID 160790314

Frequently Asked Questions

What is the IUPAC name of 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-λ6-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?
The IUPAC name of 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-λ6-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) is 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-λ6-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.
What is the SMILES notation for 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-λ6-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?
The canonical SMILES for 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-λ6-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 is C=S(C)(=O)c1ccc(N2CCN(C(=O)CN3CC[C@H](C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(=O)[nH]c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncn(C)n4)cc3)CC2)C1.Cc1ccc(C)c(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)c1.O=C(Nc1ccc(O)cc1)C1CCN(CC(=O)N2CCC(N3CCCCC3=O)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(c3cnccn3)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 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-λ6-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?
The InChIKey is LILYWILBJVRIRY-GOWNMXEMSA-N. The full InChI is InChI=1S/C34H35N9O4.C25H32N4O4S.C25H32N4O3.C23H32N4O4.2C21H26N6O3/c1-41-21-36-32(40-41)24-5-3-22(4-6-24)23-11-14-43(15-12-23)30(45)19-42-16-13-34(20-42,47-2)33(46)37-26-8-9-28-27(17-26)31(39-38-28)25-7-10-29(44)35-18-25;1-34(2,33)23-9-5-21(6-10-23)28-13-15-29(16-14-28)24(31)18-27-12-11-19(17-27)25(32)26-20-3-7-22(30)8-4-20;1-18-3-4-19(2)23(15-18)28-11-13-29(14-12-28)24(31)17-27-10-9-20(16-27)25(32)26-21-5-7-22(30)8-6-21;28-20-6-4-18(5-7-20)24-23(31)17-8-12-25(15-17)16-22(30)26-13-9-19(10-14-26)27-11-2-1-3-21(27)29;28-18-4-2-17(3-5-18)24-20(30)16-6-9-25(14-16)15-19(29)26-10-12-27(13-11-26)21-22-7-1-8-23-21;28-18-3-1-17(2-4-18)24-21(30)16-5-8-25(14-16)15-20(29)27-11-9-26(10-12-27)19-13-22-6-7-23-19/h3-11,17-18,21H,12-16,19-20H2,1-2H3,(H,35,44)(H,37,46)(H,38,39);3-10,19,30H,1,11-18H2,2H3,(H,26,32);3-8,15,20,30H,9-14,16-17H2,1-2H3,(H,26,32);4-7,17,19,28H,1-3,8-16H2,(H,24,31);1-5,7-8,16,28H,6,9-15H2,(H,24,30);1-4,6-7,13,16,28H,5,8-12,14-15H2,(H,24,30)/t34-;19-,34?;;;2*16-/m00..11/s1.
What are the key properties of 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-λ6-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?
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-λ6-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 has a molecular weight of 2804.38 g/mol, XLogP of 10.62, 34 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 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-λ6-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 is sourced from PubChem (CID 159360472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).