(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-3-phenylpropyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one

C93H125F6N21O15 — CID 159976268

IUPAC(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-3-phenylpropyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one
SMILESC[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)Cc2ccccc2)C(=O)N1.C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CCCC2)C(=O)N1.C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CCN(c3ccncc3)CC2)C(=O)N1.C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C(=O)N1.C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CCn3cc(C(F)(F)F)nc3C2)C(=O)N1
InChIInChI=1S/C21H29N5O3.C19H24F3N5O3.C19H24N2O3.C18H23F3N6O3.C16H25N3O3/c1-15-3-2-8-26(15)21(29)18-13-16(20(28)23-18)14-19(27)25-11-9-24(10-12-25)17-4-6-22-7-5-17;1-11-3-2-4-27(11)18(30)13-7-12(17(29)23-13)8-16(28)26-6-5-25-9-14(19(20,21)22)24-15(25)10-26;1-13-6-5-9-21(13)19(24)17-12-15(18(23)20-17)11-16(22)10-14-7-3-2-4-8-14;1-10-3-2-4-26(10)16(30)12-7-11(15(29)22-12)8-14(28)25-5-6-27-13(9-25)23-24-17(27)18(19,20)21;1-11-5-4-8-19(11)16(22)13-9-12(15(21)17-13)10-14(20)18-6-2-3-7-18/h4-7,15-16,18H,2-3,8-14H2,1H3,(H,23,28);9,11-13H,2-8,10H2,1H3,(H,23,29);2-4,7-8,13,15,17H,5-6,9-12H2,1H3,(H,20,23);10-12H,2-9H2,1H3,(H,22,29);11-13H,2-10H2,1H3,(H,17,21)/t15-,16+,18+;11-,12+,13+;13-,15-,17+;10-,11+,12+;11-,12+,13+/m11111/s1
InChIKeyOFEWBFPTGOKGCX-OLDNFHAFSA-N
MW1891.14 g/mol
LogP4.55
Rot. Bonds18

About (3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-3-phenylpropyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one

(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-3-phenylpropyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one (PubChem CID 159976268) has the molecular formula C93H125F6N21O15 and a molecular weight of 1891.14 g/mol. Its IUPAC name is (3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-3-phenylpropyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-3-phenylpropyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one
PubChem CID159976268
Molecular FormulaC93H125F6N21O15
Molecular Weight1891.14 g/mol
Exact Mass1889.96
IUPAC Name(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-3-phenylpropyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one
SMILESC[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)Cc2ccccc2)C(=O)N1.C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CCCC2)C(=O)N1.C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CCN(c3ccncc3)CC2)C(=O)N1.C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C(=O)N1.C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CCn3cc(C(F)(F)F)nc3C2)C(=O)N1
InChIInChI=1S/C21H29N5O3.C19H24F3N5O3.C19H24N2O3.C18H23F3N6O3.C16H25N3O3/c1-15-3-2-8-26(15)21(29)18-13-16(20(28)23-18)14-19(27)25-11-9-24(10-12-25)17-4-6-22-7-5-17;1-11-3-2-4-27(11)18(30)13-7-12(17(29)23-13)8-16(28)26-6-5-25-9-14(19(20,21)22)24-15(25)10-26;1-13-6-5-9-21(13)19(24)17-12-15(18(23)20-17)11-16(22)10-14-7-3-2-4-8-14;1-10-3-2-4-26(10)16(30)12-7-11(15(29)22-12)8-14(28)25-5-6-27-13(9-25)23-24-17(27)18(19,20)21;1-11-5-4-8-19(11)16(22)13-9-12(15(21)17-13)10-14(20)18-6-2-3-7-18/h4-7,15-16,18H,2-3,8-14H2,1H3,(H,23,28);9,11-13H,2-8,10H2,1H3,(H,23,29);2-4,7-8,13,15,17H,5-6,9-12H2,1H3,(H,20,23);10-12H,2-9H2,1H3,(H,22,29);11-13H,2-10H2,1H3,(H,17,21)/t15-,16+,18+;11-,12+,13+;13-,15-,17+;10-,11+,12+;11-,12+,13+/m11111/s1
InChIKeyOFEWBFPTGOKGCX-OLDNFHAFSA-N
XLogP4.55
TPSA410.02 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001891.14
LogP ≤ 54.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze (3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-3-phenylpropyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

3-[3-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 146410374
3-[3-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 146410392
2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]isoindole-1,3-dione
CID 146410412
3-[4-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethylamino]-2-oxo-3H-indol-1-yl]piperidine-2,6-dione
CID 146410440
3-[4-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethylamino]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 146410897
3-[4-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]propylamino]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 146411149
ethane;3-[5-[3-methyl-7-[6-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 153629358
3-[5-[3-methyl-7-[6-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 153629359
1-(6-amino-3-pyridinyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[(1R)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 157178272
2-(2,6-dioxopiperidin-3-yl)-5-[[9-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-8-oxononyl]amino]isoindole-1,3-dione
CID 157206633
3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 157452934
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylheptanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-N-methyl-N-(1-methylimidazol-4-yl)-3-[[2-methyl-6-(methylamino)-4-pyridinyl]methyl]-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide
CID 157561102

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-3-phenylpropyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of (3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-3-phenylpropyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one (CID 159976268) is (3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-3-phenylpropyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-3-phenylpropyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for (3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-3-phenylpropyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one is C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)Cc2ccccc2)C(=O)N1.C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CCCC2)C(=O)N1.C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CCN(c3ccncc3)CC2)C(=O)N1.C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C(=O)N1.C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CCn3cc(C(F)(F)F)nc3C2)C(=O)N1.
What is the InChIKey of (3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-3-phenylpropyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one?
The InChIKey is OFEWBFPTGOKGCX-OLDNFHAFSA-N. The full InChI is InChI=1S/C21H29N5O3.C19H24F3N5O3.C19H24N2O3.C18H23F3N6O3.C16H25N3O3/c1-15-3-2-8-26(15)21(29)18-13-16(20(28)23-18)14-19(27)25-11-9-24(10-12-25)17-4-6-22-7-5-17;1-11-3-2-4-27(11)18(30)13-7-12(17(29)23-13)8-16(28)26-6-5-25-9-14(19(20,21)22)24-15(25)10-26;1-13-6-5-9-21(13)19(24)17-12-15(18(23)20-17)11-16(22)10-14-7-3-2-4-8-14;1-10-3-2-4-26(10)16(30)12-7-11(15(29)22-12)8-14(28)25-5-6-27-13(9-25)23-24-17(27)18(19,20)21;1-11-5-4-8-19(11)16(22)13-9-12(15(21)17-13)10-14(20)18-6-2-3-7-18/h4-7,15-16,18H,2-3,8-14H2,1H3,(H,23,28);9,11-13H,2-8,10H2,1H3,(H,23,29);2-4,7-8,13,15,17H,5-6,9-12H2,1H3,(H,20,23);10-12H,2-9H2,1H3,(H,22,29);11-13H,2-10H2,1H3,(H,17,21)/t15-,16+,18+;11-,12+,13+;13-,15-,17+;10-,11+,12+;11-,12+,13+/m11111/s1.
What are the key properties of (3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-3-phenylpropyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one?
(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-3-phenylpropyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one has a molecular weight of 1891.14 g/mol, XLogP of 4.55, 18 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-3-phenylpropyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one;(3S,5S)-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 159976268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).