2,7-diazaspiro[4.4]nonan-2-yl-(6-ethoxy-15,24-dioxa-3,5,7,9,31-pentazatetracyclo[23.2.2.14,8.110,14]hentriaconta-1(28),4(31),5,7,10(30),11,13,25(29),26-nonaen-13-yl)methanone

C34H45N7O4 — CID 67474232

About 2,7-diazaspiro[4.4]nonan-2-yl-(6-ethoxy-15,24-dioxa-3,5,7,9,31-pentazatetracyclo[23.2.2.14,8.110,14]hentriaconta-1(28),4(31),5,7,10(30),11,13,25(29),26-nonaen-13-yl)methanone

2,7-diazaspiro[4.4]nonan-2-yl-(6-ethoxy-15,24-dioxa-3,5,7,9,31-pentazatetracyclo[23.2.2.14,8.110,14]hentriaconta-1(28),4(31),5,7,10(30),11,13,25(29),26-nonaen-13-yl)methanone (PubChem CID 67474232) has the molecular formula C34H45N7O4 and a molecular weight of 615.78 g/mol. Its IUPAC name is 2,7-diazaspiro[4.4]nonan-2-yl-(6-ethoxy-15,24-dioxa-3,5,7,9,31-pentazatetracyclo[23.2.2.14,8.110,14]hentriaconta-1(28),4(31),5,7,10(30),11,13,25(29),26-nonaen-13-yl)methanone.

Molecular Properties

• Compound Name: 2,7-diazaspiro[4.4]nonan-2-yl-(6-ethoxy-15,24-dioxa-3,5,7,9,31-pentazatetracyclo[23.2.2.14,8.110,14]hentriaconta-1(28),4(31),5,7,10(30),11,13,25(29),26-nonaen-13-yl)methanone
• PubChem CID: 67474232
• Molecular Formula: C34H45N7O4
• Molecular Weight: 615.78 g/mol
• Exact Mass: 615.35
• IUPAC Name: 2,7-diazaspiro[4.4]nonan-2-yl-(6-ethoxy-15,24-dioxa-3,5,7,9,31-pentazatetracyclo[23.2.2.14,8.110,14]hentriaconta-1(28),4(31),5,7,10(30),11,13,25(29),26-nonaen-13-yl)methanone
• SMILES: CCOc1nc2nc(n1)Nc1ccc(C(=O)N3CCC4(CCNC4)C3)c(c1)OCCCCCCCCOc1ccc(cc1)CN2
• InChI: InChI=1S/C34H45N7O4/c1-2-43-33-39-31-36-22-25-9-12-27(13-10-25)44-19-7-5-3-4-6-8-20-45-29-21-26(37-32(38-31)40-33)11-14-28(29)30(42)41-18-16-34(24-41)15-17-35-23-34/h9-14,21,35H,2-8,15-20,22-24H2,1H3,(H2,36,37,38,39,40)
• InChIKey: KCZDLTFIPYLYMO-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 122.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.78
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[4.4]nonan-2-yl-(6-ethoxy-15,24-dioxa-3,5,7,9,31-pentazatetracyclo[23.2.2.14,8.110,14]hentriaconta-1(28),4(31),5,7,10(30),11,13,25(29),26-nonaen-13-yl)methanone?

The IUPAC name of 2,7-diazaspiro[4.4]nonan-2-yl-(6-ethoxy-15,24-dioxa-3,5,7,9,31-pentazatetracyclo[23.2.2.14,8.110,14]hentriaconta-1(28),4(31),5,7,10(30),11,13,25(29),26-nonaen-13-yl)methanone (CID 67474232) is 2,7-diazaspiro[4.4]nonan-2-yl-(6-ethoxy-15,24-dioxa-3,5,7,9,31-pentazatetracyclo[23.2.2.14,8.110,14]hentriaconta-1(28),4(31),5,7,10(30),11,13,25(29),26-nonaen-13-yl)methanone.

What is the SMILES notation for 2,7-diazaspiro[4.4]nonan-2-yl-(6-ethoxy-15,24-dioxa-3,5,7,9,31-pentazatetracyclo[23.2.2.14,8.110,14]hentriaconta-1(28),4(31),5,7,10(30),11,13,25(29),26-nonaen-13-yl)methanone?

The canonical SMILES for 2,7-diazaspiro[4.4]nonan-2-yl-(6-ethoxy-15,24-dioxa-3,5,7,9,31-pentazatetracyclo[23.2.2.14,8.110,14]hentriaconta-1(28),4(31),5,7,10(30),11,13,25(29),26-nonaen-13-yl)methanone is CCOc1nc2nc(n1)Nc1ccc(C(=O)N3CCC4(CCNC4)C3)c(c1)OCCCCCCCCOc1ccc(cc1)CN2.

What is the InChIKey of 2,7-diazaspiro[4.4]nonan-2-yl-(6-ethoxy-15,24-dioxa-3,5,7,9,31-pentazatetracyclo[23.2.2.14,8.110,14]hentriaconta-1(28),4(31),5,7,10(30),11,13,25(29),26-nonaen-13-yl)methanone?

The InChIKey is KCZDLTFIPYLYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N7O4/c1-2-43-33-39-31-36-22-25-9-12-27(13-10-25)44-19-7-5-3-4-6-8-20-45-29-21-26(37-32(38-31)40-33)11-14-28(29)30(42)41-18-16-34(24-41)15-17-35-23-34/h9-14,21,35H,2-8,15-20,22-24H2,1H3,(H2,36,37,38,39,40).

What are the key properties of 2,7-diazaspiro[4.4]nonan-2-yl-(6-ethoxy-15,24-dioxa-3,5,7,9,31-pentazatetracyclo[23.2.2.14,8.110,14]hentriaconta-1(28),4(31),5,7,10(30),11,13,25(29),26-nonaen-13-yl)methanone?

2,7-diazaspiro[4.4]nonan-2-yl-(6-ethoxy-15,24-dioxa-3,5,7,9,31-pentazatetracyclo[23.2.2.14,8.110,14]hentriaconta-1(28),4(31),5,7,10(30),11,13,25(29),26-nonaen-13-yl)methanone has a molecular weight of 615.78 g/mol, XLogP of 5.56, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-diazaspiro[4.4]nonan-2-yl-(6-ethoxy-15,24-dioxa-3,5,7,9,31-pentazatetracyclo[23.2.2.14,8.110,14]hentriaconta-1(28),4(31),5,7,10(30),11,13,25(29),26-nonaen-13-yl)methanone is sourced from PubChem (CID 67474232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).