tert-butyl 3-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate;2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2-chloro-6-fluorophenyl)-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-formyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-methyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;methane

C155H158Cl6F5N19O24 — CID 158704989

IUPACtert-butyl 3-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate;2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2-chloro-6-fluorophenyl)-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-formyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-methyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;methane
SMILESC.C.CC(C)(C)OC(=O)N1CCC(c2ccc(N)cc2)C1=O.CCOC(=O)c1c(C)nc(-c2c(F)cccc2Cl)nc1Cc1ccc(C2CCN(C(=O)OC(C)(C)C)C2=O)cc1.CCOC(=O)c1c(C)nc(-c2c(F)cccc2Cl)nc1Cl.CCOC(=O)c1c(C=O)nc(-c2c(F)cccc2Cl)nc1Cc1ccc(C2CCN(C(=O)OC(C)(C)C)C2=O)cc1.COc1ccc(CN)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4Cl)nc(Cc4ccc(C5CCNC5=O)cc4)c3C2=O)c(OC)c1.O=C1NCc2nc(-c3c(F)cccc3Cl)nc(Cc3ccc(C4CCNC4=O)cc3)c21
InChIInChI=1S/C32H28ClFN4O4.C30H29ClFN3O6.C30H31ClFN3O5.C23H18ClFN4O2.C15H20N2O3.C14H11Cl2FN2O2.C9H13NO2.2CH4/c1-41-21-11-10-20(27(15-21)42-2)16-38-17-26-29(32(38)40)25(36-30(37-26)28-23(33)4-3-5-24(28)34)14-18-6-8-19(9-7-18)22-12-13-35-31(22)39;1-5-40-28(38)25-22(33-26(34-23(25)16-36)24-20(31)7-6-8-21(24)32)15-17-9-11-18(12-10-17)19-13-14-35(27(19)37)29(39)41-30(2,3)4;1-6-39-28(37)24-17(2)33-26(25-21(31)8-7-9-22(25)32)34-23(24)16-18-10-12-19(13-11-18)20-14-15-35(27(20)36)29(38)40-30(3,4)5;24-15-2-1-3-16(25)19(15)21-28-17(20-18(29-21)11-27-23(20)31)10-12-4-6-13(7-5-12)14-8-9-26-22(14)30;1-15(2,3)20-14(19)17-9-8-12(13(17)18)10-4-6-11(16)7-5-10;1-3-21-14(20)10-7(2)18-13(19-12(10)16)11-8(15)5-4-6-9(11)17;1-11-8-4-3-7(6-10)9(5-8)12-2;;/h3-11,15,22H,12-14,16-17H2,1-2H3,(H,35,39);6-12,16,19H,5,13-15H2,1-4H3;7-13,20H,6,14-16H2,1-5H3;1-7,14H,8-11H2,(H,26,30)(H,27,31);4-7,12H,8-9,16H2,1-3H3;4-6H,3H2,1-2H3;3-5H,6,10H2,1-2H3;2*1H4
InChIKeyIHZSHIHWMWRLOU-UHFFFAOYSA-N
MW2978.79 g/mol
LogP29.74
Rot. Bonds32

About tert-butyl 3-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate;2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2-chloro-6-fluorophenyl)-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-formyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-methyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;methane

tert-butyl 3-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate;2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2-chloro-6-fluorophenyl)-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-formyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-methyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;methane (PubChem CID 158704989) has the molecular formula C155H158Cl6F5N19O24 and a molecular weight of 2978.79 g/mol. Its IUPAC name is tert-butyl 3-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate;2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2-chloro-6-fluorophenyl)-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-formyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-methyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;methane.

Molecular Properties

Compound Nametert-butyl 3-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate;2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2-chloro-6-fluorophenyl)-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-formyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-methyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;methane
PubChem CID158704989
Molecular FormulaC155H158Cl6F5N19O24
Molecular Weight2978.79 g/mol
Exact Mass2973.98
IUPAC Nametert-butyl 3-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate;2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2-chloro-6-fluorophenyl)-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-formyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-methyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;methane
SMILESC.C.CC(C)(C)OC(=O)N1CCC(c2ccc(N)cc2)C1=O.CCOC(=O)c1c(C)nc(-c2c(F)cccc2Cl)nc1Cc1ccc(C2CCN(C(=O)OC(C)(C)C)C2=O)cc1.CCOC(=O)c1c(C)nc(-c2c(F)cccc2Cl)nc1Cl.CCOC(=O)c1c(C=O)nc(-c2c(F)cccc2Cl)nc1Cc1ccc(C2CCN(C(=O)OC(C)(C)C)C2=O)cc1.COc1ccc(CN)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4Cl)nc(Cc4ccc(C5CCNC5=O)cc4)c3C2=O)c(OC)c1.O=C1NCc2nc(-c3c(F)cccc3Cl)nc(Cc3ccc(C4CCNC4=O)cc3)c21
InChIInChI=1S/C32H28ClFN4O4.C30H29ClFN3O6.C30H31ClFN3O5.C23H18ClFN4O2.C15H20N2O3.C14H11Cl2FN2O2.C9H13NO2.2CH4/c1-41-21-11-10-20(27(15-21)42-2)16-38-17-26-29(32(38)40)25(36-30(37-26)28-23(33)4-3-5-24(28)34)14-18-6-8-19(9-7-18)22-12-13-35-31(22)39;1-5-40-28(38)25-22(33-26(34-23(25)16-36)24-20(31)7-6-8-21(24)32)15-17-9-11-18(12-10-17)19-13-14-35(27(19)37)29(39)41-30(2,3)4;1-6-39-28(37)24-17(2)33-26(25-21(31)8-7-9-22(25)32)34-23(24)16-18-10-12-19(13-11-18)20-14-15-35(27(20)36)29(38)40-30(3,4)5;24-15-2-1-3-16(25)19(15)21-28-17(20-18(29-21)11-27-23(20)31)10-12-4-6-13(7-5-12)14-8-9-26-22(14)30;1-15(2,3)20-14(19)17-9-8-12(13(17)18)10-4-6-11(16)7-5-10;1-3-21-14(20)10-7(2)18-13(19-12(10)16)11-8(15)5-4-6-9(11)17;1-11-8-4-3-7(6-10)9(5-8)12-2;;/h3-11,15,22H,12-14,16-17H2,1-2H3,(H,35,39);6-12,16,19H,5,13-15H2,1-4H3;7-13,20H,6,14-16H2,1-5H3;1-7,14H,8-11H2,(H,26,30)(H,27,31);4-7,12H,8-9,16H2,1-3H3;4-6H,3H2,1-2H3;3-5H,6,10H2,1-2H3;2*1H4
InChIKeyIHZSHIHWMWRLOU-UHFFFAOYSA-N
XLogP29.74
TPSA561.27 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds32
Heavy Atoms209
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002978.79
LogP ≤ 529.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze tert-butyl 3-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate;2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2-chloro-6-fluorophenyl)-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-formyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-methyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate;2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2-chloro-6-fluorophenyl)-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-formyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-methyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;methane?
The IUPAC name of tert-butyl 3-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate;2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2-chloro-6-fluorophenyl)-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-formyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-methyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;methane (CID 158704989) is tert-butyl 3-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate;2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2-chloro-6-fluorophenyl)-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-formyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-methyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;methane.
What is the SMILES notation for tert-butyl 3-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate;2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2-chloro-6-fluorophenyl)-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-formyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-methyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;methane?
The canonical SMILES for tert-butyl 3-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate;2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2-chloro-6-fluorophenyl)-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-formyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-methyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;methane is C.C.CC(C)(C)OC(=O)N1CCC(c2ccc(N)cc2)C1=O.CCOC(=O)c1c(C)nc(-c2c(F)cccc2Cl)nc1Cc1ccc(C2CCN(C(=O)OC(C)(C)C)C2=O)cc1.CCOC(=O)c1c(C)nc(-c2c(F)cccc2Cl)nc1Cl.CCOC(=O)c1c(C=O)nc(-c2c(F)cccc2Cl)nc1Cc1ccc(C2CCN(C(=O)OC(C)(C)C)C2=O)cc1.COc1ccc(CN)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4Cl)nc(Cc4ccc(C5CCNC5=O)cc4)c3C2=O)c(OC)c1.O=C1NCc2nc(-c3c(F)cccc3Cl)nc(Cc3ccc(C4CCNC4=O)cc3)c21.
What is the InChIKey of tert-butyl 3-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate;2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2-chloro-6-fluorophenyl)-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-formyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-methyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;methane?
The InChIKey is IHZSHIHWMWRLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28ClFN4O4.C30H29ClFN3O6.C30H31ClFN3O5.C23H18ClFN4O2.C15H20N2O3.C14H11Cl2FN2O2.C9H13NO2.2CH4/c1-41-21-11-10-20(27(15-21)42-2)16-38-17-26-29(32(38)40)25(36-30(37-26)28-23(33)4-3-5-24(28)34)14-18-6-8-19(9-7-18)22-12-13-35-31(22)39;1-5-40-28(38)25-22(33-26(34-23(25)16-36)24-20(31)7-6-8-21(24)32)15-17-9-11-18(12-10-17)19-13-14-35(27(19)37)29(39)41-30(2,3)4;1-6-39-28(37)24-17(2)33-26(25-21(31)8-7-9-22(25)32)34-23(24)16-18-10-12-19(13-11-18)20-14-15-35(27(20)36)29(38)40-30(3,4)5;24-15-2-1-3-16(25)19(15)21-28-17(20-18(29-21)11-27-23(20)31)10-12-4-6-13(7-5-12)14-8-9-26-22(14)30;1-15(2,3)20-14(19)17-9-8-12(13(17)18)10-4-6-11(16)7-5-10;1-3-21-14(20)10-7(2)18-13(19-12(10)16)11-8(15)5-4-6-9(11)17;1-11-8-4-3-7(6-10)9(5-8)12-2;;/h3-11,15,22H,12-14,16-17H2,1-2H3,(H,35,39);6-12,16,19H,5,13-15H2,1-4H3;7-13,20H,6,14-16H2,1-5H3;1-7,14H,8-11H2,(H,26,30)(H,27,31);4-7,12H,8-9,16H2,1-3H3;4-6H,3H2,1-2H3;3-5H,6,10H2,1-2H3;2*1H4.
What are the key properties of tert-butyl 3-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate;2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2-chloro-6-fluorophenyl)-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-formyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-methyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;methane?
tert-butyl 3-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate;2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2-chloro-6-fluorophenyl)-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-formyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-methyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;methane has a molecular weight of 2978.79 g/mol, XLogP of 29.74, 32 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate;2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2-chloro-6-fluorophenyl)-4-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-formyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2-chloro-6-fluorophenyl)-4-methyl-6-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]phenyl]methyl]pyrimidine-5-carboxylate;methane is sourced from PubChem (CID 158704989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).