[(8R)-6-azatricyclo[3.2.1.03,8]octan-6-yl]-[2-[1-(cyclopropylmethyl)-6-(4-ethoxypiperidin-1-yl)indol-2-yl]-4-methoxy-3-methyl-1-benzofuran-6-yl]methanone

C37H43N3O4 — CID 156829065

About [(8R)-6-azatricyclo[3.2.1.03,8]octan-6-yl]-[2-[1-(cyclopropylmethyl)-6-(4-ethoxypiperidin-1-yl)indol-2-yl]-4-methoxy-3-methyl-1-benzofuran-6-yl]methanone

[(8R)-6-azatricyclo[3.2.1.03,8]octan-6-yl]-[2-[1-(cyclopropylmethyl)-6-(4-ethoxypiperidin-1-yl)indol-2-yl]-4-methoxy-3-methyl-1-benzofuran-6-yl]methanone (PubChem CID 156829065) has the molecular formula C37H43N3O4 and a molecular weight of 593.77 g/mol. Its IUPAC name is [(8R)-6-azatricyclo[3.2.1.03,8]octan-6-yl]-[2-[1-(cyclopropylmethyl)-6-(4-ethoxypiperidin-1-yl)indol-2-yl]-4-methoxy-3-methyl-1-benzofuran-6-yl]methanone.

Molecular Properties

• Compound Name: [(8R)-6-azatricyclo[3.2.1.03,8]octan-6-yl]-[2-[1-(cyclopropylmethyl)-6-(4-ethoxypiperidin-1-yl)indol-2-yl]-4-methoxy-3-methyl-1-benzofuran-6-yl]methanone
• PubChem CID: 156829065
• Molecular Formula: C37H43N3O4
• Molecular Weight: 593.77 g/mol
• Exact Mass: 593.33
• IUPAC Name: [(8R)-6-azatricyclo[3.2.1.03,8]octan-6-yl]-[2-[1-(cyclopropylmethyl)-6-(4-ethoxypiperidin-1-yl)indol-2-yl]-4-methoxy-3-methyl-1-benzofuran-6-yl]methanone
• SMILES: CCOC1CCN(c2ccc3cc(-c4oc5cc(C(=O)N6CC7CC8CC6[C@H]87)cc(OC)c5c4C)n(CC4CC4)c3c2)CC1
• InChI: InChI=1S/C37H43N3O4/c1-4-43-28-9-11-38(12-10-28)27-8-7-23-14-31(39(29(23)18-27)19-22-5-6-22)36-21(2)34-32(42-3)16-25(17-33(34)44-36)37(41)40-20-26-13-24-15-30(40)35(24)26/h7-8,14,16-18,22,24,26,28,30,35H,4-6,9-13,15,19-20H2,1-3H3/t24?,26?,30?,35-/m1/s1
• InChIKey: DHZFVRMFHFMRBK-YGYMKIIBSA-N
• XLogP: 7.27
• TPSA: 60.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.77
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(8R)-6-azatricyclo[3.2.1.03,8]octan-6-yl]-[2-[1-(cyclopropylmethyl)-6-(4-ethoxypiperidin-1-yl)indol-2-yl]-4-methoxy-3-methyl-1-benzofuran-6-yl]methanone?

The IUPAC name of [(8R)-6-azatricyclo[3.2.1.03,8]octan-6-yl]-[2-[1-(cyclopropylmethyl)-6-(4-ethoxypiperidin-1-yl)indol-2-yl]-4-methoxy-3-methyl-1-benzofuran-6-yl]methanone (CID 156829065) is [(8R)-6-azatricyclo[3.2.1.03,8]octan-6-yl]-[2-[1-(cyclopropylmethyl)-6-(4-ethoxypiperidin-1-yl)indol-2-yl]-4-methoxy-3-methyl-1-benzofuran-6-yl]methanone.

What is the SMILES notation for [(8R)-6-azatricyclo[3.2.1.03,8]octan-6-yl]-[2-[1-(cyclopropylmethyl)-6-(4-ethoxypiperidin-1-yl)indol-2-yl]-4-methoxy-3-methyl-1-benzofuran-6-yl]methanone?

The canonical SMILES for [(8R)-6-azatricyclo[3.2.1.03,8]octan-6-yl]-[2-[1-(cyclopropylmethyl)-6-(4-ethoxypiperidin-1-yl)indol-2-yl]-4-methoxy-3-methyl-1-benzofuran-6-yl]methanone is CCOC1CCN(c2ccc3cc(-c4oc5cc(C(=O)N6CC7CC8CC6[C@H]87)cc(OC)c5c4C)n(CC4CC4)c3c2)CC1.

What is the InChIKey of [(8R)-6-azatricyclo[3.2.1.03,8]octan-6-yl]-[2-[1-(cyclopropylmethyl)-6-(4-ethoxypiperidin-1-yl)indol-2-yl]-4-methoxy-3-methyl-1-benzofuran-6-yl]methanone?

The InChIKey is DHZFVRMFHFMRBK-YGYMKIIBSA-N. The full InChI is InChI=1S/C37H43N3O4/c1-4-43-28-9-11-38(12-10-28)27-8-7-23-14-31(39(29(23)18-27)19-22-5-6-22)36-21(2)34-32(42-3)16-25(17-33(34)44-36)37(41)40-20-26-13-24-15-30(40)35(24)26/h7-8,14,16-18,22,24,26,28,30,35H,4-6,9-13,15,19-20H2,1-3H3/t24?,26?,30?,35-/m1/s1.

What are the key properties of [(8R)-6-azatricyclo[3.2.1.03,8]octan-6-yl]-[2-[1-(cyclopropylmethyl)-6-(4-ethoxypiperidin-1-yl)indol-2-yl]-4-methoxy-3-methyl-1-benzofuran-6-yl]methanone?

[(8R)-6-azatricyclo[3.2.1.03,8]octan-6-yl]-[2-[1-(cyclopropylmethyl)-6-(4-ethoxypiperidin-1-yl)indol-2-yl]-4-methoxy-3-methyl-1-benzofuran-6-yl]methanone has a molecular weight of 593.77 g/mol, XLogP of 7.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(8R)-6-azatricyclo[3.2.1.03,8]octan-6-yl]-[2-[1-(cyclopropylmethyl)-6-(4-ethoxypiperidin-1-yl)indol-2-yl]-4-methoxy-3-methyl-1-benzofuran-6-yl]methanone is sourced from PubChem (CID 156829065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).