2-(4-aminophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclopentane;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane;ethyl 2-methyl-2-(4-nitrophenyl)propanoate;ethyl 2-(4-nitrophenyl)acetate;methane;methanol;2-methyl-2-(4-nitrophenyl)propanoic acid;2-methyl-2-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one;molecular hydrogen;palladium

C155H186ClF6N18O26Pd- — CID 159800921

IUPAC2-(4-aminophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclopentane;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane;ethyl 2-methyl-2-(4-nitrophenyl)propanoate;ethyl 2-(4-nitrophenyl)acetate;methane;methanol;2-methyl-2-(4-nitrophenyl)propanoic acid;2-methyl-2-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one;molecular hydrogen;palladium
SMILESC.C.C1CCCC1.CC.CC(C)(C(=O)N1CCCC1)c1ccc(Cc2nc(-c3c(F)cccc3F)nc3c2C(=O)NC3)cc1.CC(C)(C(=O)N1CCCC1)c1ccc(N)cc1.CC(C)(C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1.CC(C)(C(=O)O)c1ccc([N+](=O)[O-])cc1.CCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1.CCOC(=O)Cc1ccc([N+](=O)[O-])cc1.CO.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cc4ccc(C(C)(C)C(=O)N5CCCC5)cc4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cl)c3C2=O)c(OC)c1.[CH3-].[H][H].[Pd]
InChIInChI=1S/C36H36F2N4O4.C27H26F2N4O2.C21H16ClF2N3O3.C14H18N2O3.C14H20N2O.C12H15NO4.2C10H11NO4.C5H10.C2H6.CH4O.2CH4.CH3.Pd.H2/c1-36(2,35(44)41-16-5-6-17-41)24-13-10-22(11-14-24)18-28-32-29(40-33(39-28)31-26(37)8-7-9-27(31)38)21-42(34(32)43)20-23-12-15-25(45-3)19-30(23)46-4;1-27(2,26(35)33-12-3-4-13-33)17-10-8-16(9-11-17)14-20-23-21(15-30-25(23)34)32-24(31-20)22-18(28)6-5-7-19(22)29;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;1-14(2,13(17)15-9-3-4-10-15)11-5-7-12(8-6-11)16(18)19;1-14(2,11-5-7-12(15)8-6-11)13(17)16-9-3-4-10-16;1-4-17-11(14)12(2,3)9-5-7-10(8-6-9)13(15)16;1-10(2,9(12)13)7-3-5-8(6-4-7)11(14)15;1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14;1-2-4-5-3-1;2*1-2;;;;;/h7-15,19H,5-6,16-18,20-21H2,1-4H3;5-11H,3-4,12-15H2,1-2H3,(H,30,34);3-8H,9-10H2,1-2H3;5-8H,3-4,9-10H2,1-2H3;5-8H,3-4,9-10,15H2,1-2H3;5-8H,4H2,1-3H3;3-6H,1-2H3,(H,12,13);3-6H,2,7H2,1H3;1-5H2;1-2H3;2H,1H3;2*1H4;1H3;;1H/q;;;;;;;;;;;;;-1;;
InChIKeyLLYOUISXOFTWKC-UHFFFAOYSA-N
MW2973.15 g/mol
LogP29.80
Rot. Bonds35

About 2-(4-aminophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclopentane;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane;ethyl 2-methyl-2-(4-nitrophenyl)propanoate;ethyl 2-(4-nitrophenyl)acetate;methane;methanol;2-methyl-2-(4-nitrophenyl)propanoic acid;2-methyl-2-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one;molecular hydrogen;palladium

2-(4-aminophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclopentane;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane;ethyl 2-methyl-2-(4-nitrophenyl)propanoate;ethyl 2-(4-nitrophenyl)acetate;methane;methanol;2-methyl-2-(4-nitrophenyl)propanoic acid;2-methyl-2-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one;molecular hydrogen;palladium (PubChem CID 159800921) has the molecular formula C155H186ClF6N18O26Pd- and a molecular weight of 2973.15 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclopentane;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane;ethyl 2-methyl-2-(4-nitrophenyl)propanoate;ethyl 2-(4-nitrophenyl)acetate;methane;methanol;2-methyl-2-(4-nitrophenyl)propanoic acid;2-methyl-2-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one;molecular hydrogen;palladium.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclopentane;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane;ethyl 2-methyl-2-(4-nitrophenyl)propanoate;ethyl 2-(4-nitrophenyl)acetate;methane;methanol;2-methyl-2-(4-nitrophenyl)propanoic acid;2-methyl-2-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one;molecular hydrogen;palladium
PubChem CID159800921
Molecular FormulaC155H186ClF6N18O26Pd-
Molecular Weight2973.15 g/mol
Exact Mass2970.24
IUPAC Name2-(4-aminophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclopentane;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane;ethyl 2-methyl-2-(4-nitrophenyl)propanoate;ethyl 2-(4-nitrophenyl)acetate;methane;methanol;2-methyl-2-(4-nitrophenyl)propanoic acid;2-methyl-2-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one;molecular hydrogen;palladium
SMILESC.C.C1CCCC1.CC.CC(C)(C(=O)N1CCCC1)c1ccc(Cc2nc(-c3c(F)cccc3F)nc3c2C(=O)NC3)cc1.CC(C)(C(=O)N1CCCC1)c1ccc(N)cc1.CC(C)(C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1.CC(C)(C(=O)O)c1ccc([N+](=O)[O-])cc1.CCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1.CCOC(=O)Cc1ccc([N+](=O)[O-])cc1.CO.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cc4ccc(C(C)(C)C(=O)N5CCCC5)cc4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cl)c3C2=O)c(OC)c1.[CH3-].[H][H].[Pd]
InChIInChI=1S/C36H36F2N4O4.C27H26F2N4O2.C21H16ClF2N3O3.C14H18N2O3.C14H20N2O.C12H15NO4.2C10H11NO4.C5H10.C2H6.CH4O.2CH4.CH3.Pd.H2/c1-36(2,35(44)41-16-5-6-17-41)24-13-10-22(11-14-24)18-28-32-29(40-33(39-28)31-26(37)8-7-9-27(31)38)21-42(34(32)43)20-23-12-15-25(45-3)19-30(23)46-4;1-27(2,26(35)33-12-3-4-13-33)17-10-8-16(9-11-17)14-20-23-21(15-30-25(23)34)32-24(31-20)22-18(28)6-5-7-19(22)29;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;1-14(2,13(17)15-9-3-4-10-15)11-5-7-12(8-6-11)16(18)19;1-14(2,11-5-7-12(15)8-6-11)13(17)16-9-3-4-10-16;1-4-17-11(14)12(2,3)9-5-7-10(8-6-9)13(15)16;1-10(2,9(12)13)7-3-5-8(6-4-7)11(14)15;1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14;1-2-4-5-3-1;2*1-2;;;;;/h7-15,19H,5-6,16-18,20-21H2,1-4H3;5-11H,3-4,12-15H2,1-2H3,(H,30,34);3-8H,9-10H2,1-2H3;5-8H,3-4,9-10H2,1-2H3;5-8H,3-4,9-10,15H2,1-2H3;5-8H,4H2,1-3H3;3-6H,1-2H3,(H,12,13);3-6H,2,7H2,1H3;1-5H2;1-2H3;2H,1H3;2*1H4;1H3;;1H/q;;;;;;;;;;;;;-1;;
InChIKeyLLYOUISXOFTWKC-UHFFFAOYSA-N
XLogP29.80
TPSA573.93 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds35
Heavy Atoms207
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002973.15
LogP ≤ 529.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze 2-(4-aminophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclopentane;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane;ethyl 2-methyl-2-(4-nitrophenyl)propanoate;ethyl 2-(4-nitrophenyl)acetate;methane;methanol;2-methyl-2-(4-nitrophenyl)propanoic acid;2-methyl-2-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one;molecular hydrogen;palladium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclopentane;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane;ethyl 2-methyl-2-(4-nitrophenyl)propanoate;ethyl 2-(4-nitrophenyl)acetate;methane;methanol;2-methyl-2-(4-nitrophenyl)propanoic acid;2-methyl-2-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one;molecular hydrogen;palladium?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclopentane;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane;ethyl 2-methyl-2-(4-nitrophenyl)propanoate;ethyl 2-(4-nitrophenyl)acetate;methane;methanol;2-methyl-2-(4-nitrophenyl)propanoic acid;2-methyl-2-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one;molecular hydrogen;palladium (CID 159800921) is 2-(4-aminophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclopentane;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane;ethyl 2-methyl-2-(4-nitrophenyl)propanoate;ethyl 2-(4-nitrophenyl)acetate;methane;methanol;2-methyl-2-(4-nitrophenyl)propanoic acid;2-methyl-2-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one;molecular hydrogen;palladium.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclopentane;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane;ethyl 2-methyl-2-(4-nitrophenyl)propanoate;ethyl 2-(4-nitrophenyl)acetate;methane;methanol;2-methyl-2-(4-nitrophenyl)propanoic acid;2-methyl-2-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one;molecular hydrogen;palladium?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclopentane;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane;ethyl 2-methyl-2-(4-nitrophenyl)propanoate;ethyl 2-(4-nitrophenyl)acetate;methane;methanol;2-methyl-2-(4-nitrophenyl)propanoic acid;2-methyl-2-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one;molecular hydrogen;palladium is C.C.C1CCCC1.CC.CC(C)(C(=O)N1CCCC1)c1ccc(Cc2nc(-c3c(F)cccc3F)nc3c2C(=O)NC3)cc1.CC(C)(C(=O)N1CCCC1)c1ccc(N)cc1.CC(C)(C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1.CC(C)(C(=O)O)c1ccc([N+](=O)[O-])cc1.CCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1.CCOC(=O)Cc1ccc([N+](=O)[O-])cc1.CO.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cc4ccc(C(C)(C)C(=O)N5CCCC5)cc4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cl)c3C2=O)c(OC)c1.[CH3-].[H][H].[Pd].
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclopentane;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane;ethyl 2-methyl-2-(4-nitrophenyl)propanoate;ethyl 2-(4-nitrophenyl)acetate;methane;methanol;2-methyl-2-(4-nitrophenyl)propanoic acid;2-methyl-2-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one;molecular hydrogen;palladium?
The InChIKey is LLYOUISXOFTWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36F2N4O4.C27H26F2N4O2.C21H16ClF2N3O3.C14H18N2O3.C14H20N2O.C12H15NO4.2C10H11NO4.C5H10.C2H6.CH4O.2CH4.CH3.Pd.H2/c1-36(2,35(44)41-16-5-6-17-41)24-13-10-22(11-14-24)18-28-32-29(40-33(39-28)31-26(37)8-7-9-27(31)38)21-42(34(32)43)20-23-12-15-25(45-3)19-30(23)46-4;1-27(2,26(35)33-12-3-4-13-33)17-10-8-16(9-11-17)14-20-23-21(15-30-25(23)34)32-24(31-20)22-18(28)6-5-7-19(22)29;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;1-14(2,13(17)15-9-3-4-10-15)11-5-7-12(8-6-11)16(18)19;1-14(2,11-5-7-12(15)8-6-11)13(17)16-9-3-4-10-16;1-4-17-11(14)12(2,3)9-5-7-10(8-6-9)13(15)16;1-10(2,9(12)13)7-3-5-8(6-4-7)11(14)15;1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14;1-2-4-5-3-1;2*1-2;;;;;/h7-15,19H,5-6,16-18,20-21H2,1-4H3;5-11H,3-4,12-15H2,1-2H3,(H,30,34);3-8H,9-10H2,1-2H3;5-8H,3-4,9-10H2,1-2H3;5-8H,3-4,9-10,15H2,1-2H3;5-8H,4H2,1-3H3;3-6H,1-2H3,(H,12,13);3-6H,2,7H2,1H3;1-5H2;1-2H3;2H,1H3;2*1H4;1H3;;1H/q;;;;;;;;;;;;;-1;;.
What are the key properties of 2-(4-aminophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclopentane;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane;ethyl 2-methyl-2-(4-nitrophenyl)propanoate;ethyl 2-(4-nitrophenyl)acetate;methane;methanol;2-methyl-2-(4-nitrophenyl)propanoic acid;2-methyl-2-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one;molecular hydrogen;palladium?
2-(4-aminophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclopentane;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane;ethyl 2-methyl-2-(4-nitrophenyl)propanoate;ethyl 2-(4-nitrophenyl)acetate;methane;methanol;2-methyl-2-(4-nitrophenyl)propanoic acid;2-methyl-2-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one;molecular hydrogen;palladium has a molecular weight of 2973.15 g/mol, XLogP of 29.80, 35 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;cyclopentane;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane;ethyl 2-methyl-2-(4-nitrophenyl)propanoate;ethyl 2-(4-nitrophenyl)acetate;methane;methanol;2-methyl-2-(4-nitrophenyl)propanoic acid;2-methyl-2-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one;molecular hydrogen;palladium is sourced from PubChem (CID 159800921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).