6-amino-9-[[3-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one

C93H114N24O13 — CID 157135743

About 6-amino-9-[[3-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one

6-amino-9-[[3-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one (PubChem CID 157135743) has the molecular formula C93H114N24O13 and a molecular weight of 1776.09 g/mol. Its IUPAC name is 6-amino-9-[[3-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one.

Molecular Properties

• Compound Name: 6-amino-9-[[3-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one
• PubChem CID: 157135743
• Molecular Formula: C93H114N24O13
• Molecular Weight: 1776.09 g/mol
• Exact Mass: 1774.90
• IUPAC Name: 6-amino-9-[[3-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one
• SMILES: COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CN4CC(C)CC(C)C4)c3)c2n1.COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CN4CC(C)OC(C)C4)c3)c2n1.COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CN4CCc5ccccc54)c3)c2n1.COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CN4Cc5ccccc5C4)c3)c2n1
• InChI: InChI=1S/2C24H26N6O3.C23H32N6O3.C22H30N6O4/c1-32-9-10-33-23-27-21(25)20-22(28-23)30(24(31)26-20)13-17-6-4-5-16(11-17)12-29-14-18-7-2-3-8-19(18)15-29;1-32-11-12-33-23-27-21(25)20-22(28-23)30(24(31)26-20)15-17-6-4-5-16(13-17)14-29-10-9-18-7-2-3-8-19(18)29;1-15-9-16(2)12-28(11-15)13-17-5-4-6-18(10-17)14-29-21-19(25-23(29)30)20(24)26-22(27-21)32-8-7-31-3;1-14-10-27(11-15(2)32-14)12-16-5-4-6-17(9-16)13-28-20-18(24-22(28)29)19(23)25-21(26-20)31-8-7-30-3/h2-8,11H,9-10,12-15H2,1H3,(H,26,31)(H2,25,27,28);2-8,13H,9-12,14-15H2,1H3,(H,26,31)(H2,25,27,28);4-6,10,15-16H,7-9,11-14H2,1-3H3,(H,25,30)(H2,24,26,27);4-6,9,14-15H,7-8,10-13H2,1-3H3,(H,24,29)(H2,23,25,26)
• InChIKey: AJPDKPYCTWSOGA-UHFFFAOYSA-N
• XLogP: 8.27
• TPSA: 454.39 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1776.09
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-[[3-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one?

The IUPAC name of 6-amino-9-[[3-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one (CID 157135743) is 6-amino-9-[[3-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one.

What is the SMILES notation for 6-amino-9-[[3-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one?

The canonical SMILES for 6-amino-9-[[3-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one is COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CN4CC(C)CC(C)C4)c3)c2n1.COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CN4CC(C)OC(C)C4)c3)c2n1.COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CN4CCc5ccccc54)c3)c2n1.COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CN4Cc5ccccc5C4)c3)c2n1.

What is the InChIKey of 6-amino-9-[[3-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one?

The InChIKey is AJPDKPYCTWSOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H26N6O3.C23H32N6O3.C22H30N6O4/c1-32-9-10-33-23-27-21(25)20-22(28-23)30(24(31)26-20)13-17-6-4-5-16(11-17)12-29-14-18-7-2-3-8-19(18)15-29;1-32-11-12-33-23-27-21(25)20-22(28-23)30(24(31)26-20)15-17-6-4-5-16(13-17)14-29-10-9-18-7-2-3-8-19(18)29;1-15-9-16(2)12-28(11-15)13-17-5-4-6-18(10-17)14-29-21-19(25-23(29)30)20(24)26-22(27-21)32-8-7-31-3;1-14-10-27(11-15(2)32-14)12-16-5-4-6-17(9-16)13-28-20-18(24-22(28)29)19(23)25-21(26-20)31-8-7-30-3/h2-8,11H,9-10,12-15H2,1H3,(H,26,31)(H2,25,27,28);2-8,13H,9-12,14-15H2,1H3,(H,26,31)(H2,25,27,28);4-6,10,15-16H,7-9,11-14H2,1-3H3,(H,25,30)(H2,24,26,27);4-6,9,14-15H,7-8,10-13H2,1-3H3,(H,24,29)(H2,23,25,26).

What are the key properties of 6-amino-9-[[3-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one?

6-amino-9-[[3-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one has a molecular weight of 1776.09 g/mol, XLogP of 8.27, 32 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-9-[[3-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one is sourced from PubChem (CID 157135743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).