3-(4-aminophenyl)-1,3-dimethylpyrrolidin-2-one;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-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-(4-nitrophenyl)pyrrolidin-2-one;methanol;3-(4-nitrophenyl)pyrrolidin-2-one

C115H114ClF6N17O17 — CID 158512663

About 3-(4-aminophenyl)-1,3-dimethylpyrrolidin-2-one;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-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-(4-nitrophenyl)pyrrolidin-2-one;methanol;3-(4-nitrophenyl)pyrrolidin-2-one

3-(4-aminophenyl)-1,3-dimethylpyrrolidin-2-one;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-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-(4-nitrophenyl)pyrrolidin-2-one;methanol;3-(4-nitrophenyl)pyrrolidin-2-one (PubChem CID 158512663) has the molecular formula C115H114ClF6N17O17 and a molecular weight of 2155.72 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1,3-dimethylpyrrolidin-2-one;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-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-(4-nitrophenyl)pyrrolidin-2-one;methanol;3-(4-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-(4-aminophenyl)-1,3-dimethylpyrrolidin-2-one;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-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-(4-nitrophenyl)pyrrolidin-2-one;methanol;3-(4-nitrophenyl)pyrrolidin-2-one
• PubChem CID: 158512663
• Molecular Formula: C115H114ClF6N17O17
• Molecular Weight: 2155.72 g/mol
• Exact Mass: 2153.82
• IUPAC Name: 3-(4-aminophenyl)-1,3-dimethylpyrrolidin-2-one;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-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-(4-nitrophenyl)pyrrolidin-2-one;methanol;3-(4-nitrophenyl)pyrrolidin-2-one
• SMILES: CN1CCC(C)(c2ccc(Cc3nc(-c4c(F)cccc4F)nc4c3C(=O)NC4)cc2)C1=O.CN1CCC(C)(c2ccc(N)cc2)C1=O.CN1CCC(C)(c2ccc([N+](=O)[O-])cc2)C1=O.CO.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cc4ccc(C5(C)CCN(C)C5=O)cc4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cl)c3C2=O)c(OC)c1.O=C1NCCC1c1ccc([N+](=O)[O-])cc1
• InChI: InChI=1S/C34H32F2N4O4.C25H22F2N4O2.C21H16ClF2N3O3.C12H14N2O3.C12H16N2O.C10H10N2O3.CH4O/c1-34(14-15-39(2)33(34)42)22-11-8-20(9-12-22)16-26-30-27(38-31(37-26)29-24(35)6-5-7-25(29)36)19-40(32(30)41)18-21-10-13-23(43-3)17-28(21)44-4;1-25(10-11-31(2)24(25)33)15-8-6-14(7-9-15)12-18-21-19(13-28-23(21)32)30-22(29-18)20-16(26)4-3-5-17(20)27;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;1-12(7-8-13(2)11(12)15)9-3-5-10(6-4-9)14(16)17;1-12(7-8-14(2)11(12)15)9-3-5-10(13)6-4-9;13-10-9(5-6-11-10)7-1-3-8(4-2-7)12(14)15;1-2/h5-13,17H,14-16,18-19H2,1-4H3;3-9H,10-13H2,1-2H3,(H,28,32);3-8H,9-10H2,1-2H3;3-6H,7-8H2,1-2H3;3-6H,7-8,13H2,1-2H3;1-4,9H,5-6H2,(H,11,13);2H,1H3
• InChIKey: HLGCYXSCPCVMAN-UHFFFAOYSA-N
• XLogP: 16.84
• TPSA: 426.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2155.72
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', '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)-1,3-dimethylpyrrolidin-2-one;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-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-(4-nitrophenyl)pyrrolidin-2-one;methanol;3-(4-nitrophenyl)pyrrolidin-2-one?

The IUPAC name of 3-(4-aminophenyl)-1,3-dimethylpyrrolidin-2-one;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-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-(4-nitrophenyl)pyrrolidin-2-one;methanol;3-(4-nitrophenyl)pyrrolidin-2-one (CID 158512663) is 3-(4-aminophenyl)-1,3-dimethylpyrrolidin-2-one;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-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-(4-nitrophenyl)pyrrolidin-2-one;methanol;3-(4-nitrophenyl)pyrrolidin-2-one.

What is the SMILES notation for 3-(4-aminophenyl)-1,3-dimethylpyrrolidin-2-one;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-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-(4-nitrophenyl)pyrrolidin-2-one;methanol;3-(4-nitrophenyl)pyrrolidin-2-one?

The canonical SMILES for 3-(4-aminophenyl)-1,3-dimethylpyrrolidin-2-one;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-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-(4-nitrophenyl)pyrrolidin-2-one;methanol;3-(4-nitrophenyl)pyrrolidin-2-one is CN1CCC(C)(c2ccc(Cc3nc(-c4c(F)cccc4F)nc4c3C(=O)NC4)cc2)C1=O.CN1CCC(C)(c2ccc(N)cc2)C1=O.CN1CCC(C)(c2ccc([N+](=O)[O-])cc2)C1=O.CO.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cc4ccc(C5(C)CCN(C)C5=O)cc4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cl)c3C2=O)c(OC)c1.O=C1NCCC1c1ccc([N+](=O)[O-])cc1.

What is the InChIKey of 3-(4-aminophenyl)-1,3-dimethylpyrrolidin-2-one;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-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-(4-nitrophenyl)pyrrolidin-2-one;methanol;3-(4-nitrophenyl)pyrrolidin-2-one?

The InChIKey is HLGCYXSCPCVMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F2N4O4.C25H22F2N4O2.C21H16ClF2N3O3.C12H14N2O3.C12H16N2O.C10H10N2O3.CH4O/c1-34(14-15-39(2)33(34)42)22-11-8-20(9-12-22)16-26-30-27(38-31(37-26)29-24(35)6-5-7-25(29)36)19-40(32(30)41)18-21-10-13-23(43-3)17-28(21)44-4;1-25(10-11-31(2)24(25)33)15-8-6-14(7-9-15)12-18-21-19(13-28-23(21)32)30-22(29-18)20-16(26)4-3-5-17(20)27;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;1-12(7-8-13(2)11(12)15)9-3-5-10(6-4-9)14(16)17;1-12(7-8-14(2)11(12)15)9-3-5-10(13)6-4-9;13-10-9(5-6-11-10)7-1-3-8(4-2-7)12(14)15;1-2/h5-13,17H,14-16,18-19H2,1-4H3;3-9H,10-13H2,1-2H3,(H,28,32);3-8H,9-10H2,1-2H3;3-6H,7-8H2,1-2H3;3-6H,7-8,13H2,1-2H3;1-4,9H,5-6H2,(H,11,13);2H,1H3.

What are the key properties of 3-(4-aminophenyl)-1,3-dimethylpyrrolidin-2-one;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-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-(4-nitrophenyl)pyrrolidin-2-one;methanol;3-(4-nitrophenyl)pyrrolidin-2-one?

3-(4-aminophenyl)-1,3-dimethylpyrrolidin-2-one;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-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-(4-nitrophenyl)pyrrolidin-2-one;methanol;3-(4-nitrophenyl)pyrrolidin-2-one has a molecular weight of 2155.72 g/mol, XLogP of 16.84, 22 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-aminophenyl)-1,3-dimethylpyrrolidin-2-one;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-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(1,3-dimethyl-2-oxopyrrolidin-3-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-(4-nitrophenyl)pyrrolidin-2-one;methanol;3-(4-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 158512663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).