3-(4-aminophenyl)-3-(2-methoxyethyl)pyrrolidin-2-one;1-bromo-2-methoxyethane;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;methane;methanol;3-(2-methoxyethyl)-3-(4-nitrophenyl)pyrrolidin-2-one;molecular hydrogen;3-(4-nitrophenyl)pyrrolidin-2-one;palladium

C124H138BrClF6N17O22Pd- — CID 157122474

About 3-(4-aminophenyl)-3-(2-methoxyethyl)pyrrolidin-2-one;1-bromo-2-methoxyethane;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;methane;methanol;3-(2-methoxyethyl)-3-(4-nitrophenyl)pyrrolidin-2-one;molecular hydrogen;3-(4-nitrophenyl)pyrrolidin-2-one;palladium

3-(4-aminophenyl)-3-(2-methoxyethyl)pyrrolidin-2-one;1-bromo-2-methoxyethane;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;methane;methanol;3-(2-methoxyethyl)-3-(4-nitrophenyl)pyrrolidin-2-one;molecular hydrogen;3-(4-nitrophenyl)pyrrolidin-2-one;palladium (PubChem CID 157122474) has the molecular formula C124H138BrClF6N17O22Pd- and a molecular weight of 2554.33 g/mol. Its IUPAC name is 3-(4-aminophenyl)-3-(2-methoxyethyl)pyrrolidin-2-one;1-bromo-2-methoxyethane;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;methane;methanol;3-(2-methoxyethyl)-3-(4-nitrophenyl)pyrrolidin-2-one;molecular hydrogen;3-(4-nitrophenyl)pyrrolidin-2-one;palladium.

Molecular Properties

• Compound Name: 3-(4-aminophenyl)-3-(2-methoxyethyl)pyrrolidin-2-one;1-bromo-2-methoxyethane;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;methane;methanol;3-(2-methoxyethyl)-3-(4-nitrophenyl)pyrrolidin-2-one;molecular hydrogen;3-(4-nitrophenyl)pyrrolidin-2-one;palladium
• PubChem CID: 157122474
• Molecular Formula: C124H138BrClF6N17O22Pd-
• Molecular Weight: 2554.33 g/mol
• Exact Mass: 2550.80
• IUPAC Name: 3-(4-aminophenyl)-3-(2-methoxyethyl)pyrrolidin-2-one;1-bromo-2-methoxyethane;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;methane;methanol;3-(2-methoxyethyl)-3-(4-nitrophenyl)pyrrolidin-2-one;molecular hydrogen;3-(4-nitrophenyl)pyrrolidin-2-one;palladium
• SMILES: C.CO.COCCBr.COCCC1(c2ccc(Cc3nc(-c4c(F)cccc4F)nc4c3C(=O)N(Cc3ccc(OC)cc3OC)C4)cc2)CCNC1=O.COCCC1(c2ccc(Cc3nc(-c4c(F)cccc4F)nc4c3C(=O)NC4)cc2)CCNC1=O.COCCC1(c2ccc(N)cc2)CCNC1=O.COCCC1(c2ccc([N+](=O)[O-])cc2)CCNC1=O.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cl)c3C2=O)c(OC)c1.O=C1NCCC1c1ccc([N+](=O)[O-])cc1.[CH3-].[H][H].[Pd]
• InChI: InChI=1S/C35H34F2N4O5.C26H24F2N4O3.C21H16ClF2N3O3.C13H16N2O4.C13H18N2O2.C10H10N2O3.C3H7BrO.CH4O.CH4.CH3.Pd.H2/c1-44-16-14-35(13-15-38-34(35)43)23-10-7-21(8-11-23)17-27-31-28(40-32(39-27)30-25(36)5-4-6-26(30)37)20-41(33(31)42)19-22-9-12-24(45-2)18-29(22)46-3;1-35-12-10-26(9-11-29-25(26)34)16-7-5-15(6-8-16)13-19-22-20(14-30-24(22)33)32-23(31-19)21-17(27)3-2-4-18(21)28;1-29-12-7-6-11(16(8-12)30-2)9-27-10-15-18(21(27)28)19(22)26-20(25-15)17-13(23)4-3-5-14(17)24;1-19-9-7-13(6-8-14-12(13)16)10-2-4-11(5-3-10)15(17)18;1-17-9-7-13(6-8-15-12(13)16)10-2-4-11(14)5-3-10;13-10-9(5-6-11-10)7-1-3-8(4-2-7)12(14)15;1-5-3-2-4;1-2;;;;/h4-12,18H,13-17,19-20H2,1-3H3,(H,38,43);2-8H,9-14H2,1H3,(H,29,34)(H,30,33);3-8H,9-10H2,1-2H3;2-5H,6-9H2,1H3,(H,14,16);2-5H,6-9,14H2,1H3,(H,15,16);1-4,9H,5-6H2,(H,11,13);2-3H2,1H3;2H,1H3;1H4;1H3;;1H/q;;;;;;;;;-1
• InChIKey: IPQQBLFCHFGBED-UHFFFAOYSA-N
• XLogP: 17.89
• TPSA: 508.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2554.33
LogP ≤ 5	17.89
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-3-(2-methoxyethyl)pyrrolidin-2-one;1-bromo-2-methoxyethane;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;methane;methanol;3-(2-methoxyethyl)-3-(4-nitrophenyl)pyrrolidin-2-one;molecular hydrogen;3-(4-nitrophenyl)pyrrolidin-2-one;palladium?

The IUPAC name of 3-(4-aminophenyl)-3-(2-methoxyethyl)pyrrolidin-2-one;1-bromo-2-methoxyethane;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;methane;methanol;3-(2-methoxyethyl)-3-(4-nitrophenyl)pyrrolidin-2-one;molecular hydrogen;3-(4-nitrophenyl)pyrrolidin-2-one;palladium (CID 157122474) is 3-(4-aminophenyl)-3-(2-methoxyethyl)pyrrolidin-2-one;1-bromo-2-methoxyethane;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;methane;methanol;3-(2-methoxyethyl)-3-(4-nitrophenyl)pyrrolidin-2-one;molecular hydrogen;3-(4-nitrophenyl)pyrrolidin-2-one;palladium.

What is the SMILES notation for 3-(4-aminophenyl)-3-(2-methoxyethyl)pyrrolidin-2-one;1-bromo-2-methoxyethane;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;methane;methanol;3-(2-methoxyethyl)-3-(4-nitrophenyl)pyrrolidin-2-one;molecular hydrogen;3-(4-nitrophenyl)pyrrolidin-2-one;palladium?

The canonical SMILES for 3-(4-aminophenyl)-3-(2-methoxyethyl)pyrrolidin-2-one;1-bromo-2-methoxyethane;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;methane;methanol;3-(2-methoxyethyl)-3-(4-nitrophenyl)pyrrolidin-2-one;molecular hydrogen;3-(4-nitrophenyl)pyrrolidin-2-one;palladium is C.CO.COCCBr.COCCC1(c2ccc(Cc3nc(-c4c(F)cccc4F)nc4c3C(=O)N(Cc3ccc(OC)cc3OC)C4)cc2)CCNC1=O.COCCC1(c2ccc(Cc3nc(-c4c(F)cccc4F)nc4c3C(=O)NC4)cc2)CCNC1=O.COCCC1(c2ccc(N)cc2)CCNC1=O.COCCC1(c2ccc([N+](=O)[O-])cc2)CCNC1=O.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cl)c3C2=O)c(OC)c1.O=C1NCCC1c1ccc([N+](=O)[O-])cc1.[CH3-].[H][H].[Pd].

What is the InChIKey of 3-(4-aminophenyl)-3-(2-methoxyethyl)pyrrolidin-2-one;1-bromo-2-methoxyethane;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;methane;methanol;3-(2-methoxyethyl)-3-(4-nitrophenyl)pyrrolidin-2-one;molecular hydrogen;3-(4-nitrophenyl)pyrrolidin-2-one;palladium?

The InChIKey is IPQQBLFCHFGBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F2N4O5.C26H24F2N4O3.C21H16ClF2N3O3.C13H16N2O4.C13H18N2O2.C10H10N2O3.C3H7BrO.CH4O.CH4.CH3.Pd.H2/c1-44-16-14-35(13-15-38-34(35)43)23-10-7-21(8-11-23)17-27-31-28(40-32(39-27)30-25(36)5-4-6-26(30)37)20-41(33(31)42)19-22-9-12-24(45-2)18-29(22)46-3;1-35-12-10-26(9-11-29-25(26)34)16-7-5-15(6-8-16)13-19-22-20(14-30-24(22)33)32-23(31-19)21-17(27)3-2-4-18(21)28;1-29-12-7-6-11(16(8-12)30-2)9-27-10-15-18(21(27)28)19(22)26-20(25-15)17-13(23)4-3-5-14(17)24;1-19-9-7-13(6-8-14-12(13)16)10-2-4-11(5-3-10)15(17)18;1-17-9-7-13(6-8-15-12(13)16)10-2-4-11(14)5-3-10;13-10-9(5-6-11-10)7-1-3-8(4-2-7)12(14)15;1-5-3-2-4;1-2;;;;/h4-12,18H,13-17,19-20H2,1-3H3,(H,38,43);2-8H,9-14H2,1H3,(H,29,34)(H,30,33);3-8H,9-10H2,1-2H3;2-5H,6-9H2,1H3,(H,14,16);2-5H,6-9,14H2,1H3,(H,15,16);1-4,9H,5-6H2,(H,11,13);2-3H2,1H3;2H,1H3;1H4;1H3;;1H/q;;;;;;;;;-1;;.

What are the key properties of 3-(4-aminophenyl)-3-(2-methoxyethyl)pyrrolidin-2-one;1-bromo-2-methoxyethane;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;methane;methanol;3-(2-methoxyethyl)-3-(4-nitrophenyl)pyrrolidin-2-one;molecular hydrogen;3-(4-nitrophenyl)pyrrolidin-2-one;palladium?

3-(4-aminophenyl)-3-(2-methoxyethyl)pyrrolidin-2-one;1-bromo-2-methoxyethane;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;methane;methanol;3-(2-methoxyethyl)-3-(4-nitrophenyl)pyrrolidin-2-one;molecular hydrogen;3-(4-nitrophenyl)pyrrolidin-2-one;palladium has a molecular weight of 2554.33 g/mol, XLogP of 17.89, 36 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-aminophenyl)-3-(2-methoxyethyl)pyrrolidin-2-one;1-bromo-2-methoxyethane;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-[3-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;methane;methanol;3-(2-methoxyethyl)-3-(4-nitrophenyl)pyrrolidin-2-one;molecular hydrogen;3-(4-nitrophenyl)pyrrolidin-2-one;palladium is sourced from PubChem (CID 157122474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).