2-[2-[2-[[2-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]acetyl]amino]ethylamino]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetamide

C34H28Cl4N10O4 — CID 144978837

About 2-[2-[2-[[2-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]acetyl]amino]ethylamino]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetamide

2-[2-[2-[[2-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]acetyl]amino]ethylamino]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetamide (PubChem CID 144978837) has the molecular formula C34H28Cl4N10O4 and a molecular weight of 782.48 g/mol. Its IUPAC name is 2-[2-[2-[[2-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]acetyl]amino]ethylamino]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[2-[[2-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]acetyl]amino]ethylamino]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
• PubChem CID: 144978837
• Molecular Formula: C34H28Cl4N10O4
• Molecular Weight: 782.48 g/mol
• Exact Mass: 780.10
• IUPAC Name: 2-[2-[2-[[2-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]acetyl]amino]ethylamino]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
• SMILES: NC(=O)Cn1ccc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(NCCNC(=O)Cn3ccc4nc(N)nc(-c5c(Cl)cc(Cl)c6c5CCO6)c43)nc21
• InChI: InChI=1S/C34H28Cl4N10O4/c35-18-11-20(37)30-15(3-9-51-30)25(18)27-17-1-7-48(13-23(39)49)32(17)46-34(45-27)42-6-5-41-24(50)14-47-8-2-22-29(47)28(44-33(40)43-22)26-16-4-10-52-31(16)21(38)12-19(26)36/h1-2,7-8,11-12H,3-6,9-10,13-14H2,(H2,39,49)(H,41,50)(H2,40,43,44)(H,42,45,46)
• InChIKey: CTUFTLLCAXOPOQ-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 190.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	782.48
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[2-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]acetyl]amino]ethylamino]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetamide?

The IUPAC name of 2-[2-[2-[[2-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]acetyl]amino]ethylamino]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetamide (CID 144978837) is 2-[2-[2-[[2-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]acetyl]amino]ethylamino]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetamide.

What is the SMILES notation for 2-[2-[2-[[2-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]acetyl]amino]ethylamino]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetamide?

The canonical SMILES for 2-[2-[2-[[2-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]acetyl]amino]ethylamino]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetamide is NC(=O)Cn1ccc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(NCCNC(=O)Cn3ccc4nc(N)nc(-c5c(Cl)cc(Cl)c6c5CCO6)c43)nc21.

What is the InChIKey of 2-[2-[2-[[2-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]acetyl]amino]ethylamino]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetamide?

The InChIKey is CTUFTLLCAXOPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28Cl4N10O4/c35-18-11-20(37)30-15(3-9-51-30)25(18)27-17-1-7-48(13-23(39)49)32(17)46-34(45-27)42-6-5-41-24(50)14-47-8-2-22-29(47)28(44-33(40)43-22)26-16-4-10-52-31(16)21(38)12-19(26)36/h1-2,7-8,11-12H,3-6,9-10,13-14H2,(H2,39,49)(H,41,50)(H2,40,43,44)(H,42,45,46).

What are the key properties of 2-[2-[2-[[2-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]acetyl]amino]ethylamino]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetamide?

2-[2-[2-[[2-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]acetyl]amino]ethylamino]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetamide has a molecular weight of 782.48 g/mol, XLogP of 5.29, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[[2-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]acetyl]amino]ethylamino]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetamide is sourced from PubChem (CID 144978837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).