5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(2,4-dimethoxyphenyl)methyl]-4-[[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one)

C96H93ClN20O16 — CID 159492077

About 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(2,4-dimethoxyphenyl)methyl]-4-[[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one)

5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(2,4-dimethoxyphenyl)methyl]-4-[[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one) (PubChem CID 159492077) has the molecular formula C96H93ClN20O16 and a molecular weight of 1818.38 g/mol. Its IUPAC name is 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(2,4-dimethoxyphenyl)methyl]-4-[[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one).

Molecular Properties

• Compound Name: 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(2,4-dimethoxyphenyl)methyl]-4-[[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one)
• PubChem CID: 159492077
• Molecular Formula: C96H93ClN20O16
• Molecular Weight: 1818.38 g/mol
• Exact Mass: 1816.68
• IUPAC Name: 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(2,4-dimethoxyphenyl)methyl]-4-[[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one)
• SMILES: CC1NC(=O)c2ccc(Nc3ncnc4c3CC(=O)N4)cc21.CC1NC(=O)c2ccc(Nc3ncnc4c3CC(=O)N4)cc21.COc1ccc(CN2C(=O)Cc3c(Cl)ncnc32)c(OC)c1.COc1ccc(CN2C(=O)Cc3c(Nc4ccc5c(c4)C(C)N(Cc4ccc(OC)cc4OC)C5=O)ncnc32)c(OC)c1.COc1ccc(CN2C(=O)c3ccc(N)cc3C2C)c(OC)c1
• InChI: InChI=1S/C33H33N5O6.C18H20N2O3.C15H14ClN3O3.2C15H13N5O2/c1-19-26-12-22(8-11-25(26)33(40)37(19)16-20-6-9-23(41-2)13-28(20)43-4)36-31-27-15-30(39)38(32(27)35-18-34-31)17-21-7-10-24(42-3)14-29(21)44-5;1-11-16-8-13(19)5-7-15(16)18(21)20(11)10-12-4-6-14(22-2)9-17(12)23-3;1-21-10-4-3-9(12(5-10)22-2)7-19-13(20)6-11-14(16)17-8-18-15(11)19;2*1-7-10-4-8(2-3-9(10)15(22)18-7)19-13-11-5-12(21)20-14(11)17-6-16-13/h6-14,18-19H,15-17H2,1-5H3,(H,34,35,36);4-9,11H,10,19H2,1-3H3;3-5,8H,6-7H2,1-2H3;2*2-4,6-7H,5H2,1H3,(H,18,22)(H2,16,17,19,20,21)
• InChIKey: LYHXAYDFNCSGDG-UHFFFAOYSA-N
• XLogP: 13.34
• TPSA: 436.71 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1818.38
LogP ≤ 5	13.34
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(2,4-dimethoxyphenyl)methyl]-4-[[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one)?

The IUPAC name of 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(2,4-dimethoxyphenyl)methyl]-4-[[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one) (CID 159492077) is 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(2,4-dimethoxyphenyl)methyl]-4-[[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one).

What is the SMILES notation for 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(2,4-dimethoxyphenyl)methyl]-4-[[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one)?

The canonical SMILES for 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(2,4-dimethoxyphenyl)methyl]-4-[[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one) is CC1NC(=O)c2ccc(Nc3ncnc4c3CC(=O)N4)cc21.CC1NC(=O)c2ccc(Nc3ncnc4c3CC(=O)N4)cc21.COc1ccc(CN2C(=O)Cc3c(Cl)ncnc32)c(OC)c1.COc1ccc(CN2C(=O)Cc3c(Nc4ccc5c(c4)C(C)N(Cc4ccc(OC)cc4OC)C5=O)ncnc32)c(OC)c1.COc1ccc(CN2C(=O)c3ccc(N)cc3C2C)c(OC)c1.

What is the InChIKey of 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(2,4-dimethoxyphenyl)methyl]-4-[[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one)?

The InChIKey is LYHXAYDFNCSGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O6.C18H20N2O3.C15H14ClN3O3.2C15H13N5O2/c1-19-26-12-22(8-11-25(26)33(40)37(19)16-20-6-9-23(41-2)13-28(20)43-4)36-31-27-15-30(39)38(32(27)35-18-34-31)17-21-7-10-24(42-3)14-29(21)44-5;1-11-16-8-13(19)5-7-15(16)18(21)20(11)10-12-4-6-14(22-2)9-17(12)23-3;1-21-10-4-3-9(12(5-10)22-2)7-19-13(20)6-11-14(16)17-8-18-15(11)19;2*1-7-10-4-8(2-3-9(10)15(22)18-7)19-13-11-5-12(21)20-14(11)17-6-16-13/h6-14,18-19H,15-17H2,1-5H3,(H,34,35,36);4-9,11H,10,19H2,1-3H3;3-5,8H,6-7H2,1-2H3;2*2-4,6-7H,5H2,1H3,(H,18,22)(H2,16,17,19,20,21).

What are the key properties of 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(2,4-dimethoxyphenyl)methyl]-4-[[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one)?

5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(2,4-dimethoxyphenyl)methyl]-4-[[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one) has a molecular weight of 1818.38 g/mol, XLogP of 13.34, 22 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(2,4-dimethoxyphenyl)methyl]-4-[[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one) is sourced from PubChem (CID 159492077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).