N-cyclopropyl-2-(6-oxospiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,1'-cyclopentane]-5-yl)acetamide;15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,1'-cyclopentane]-6-one

C51H61N9O4Si — CID 157078121

About N-cyclopropyl-2-(6-oxospiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,1'-cyclopentane]-5-yl)acetamide;15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,1'-cyclopentane]-6-one

N-cyclopropyl-2-(6-oxospiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,1'-cyclopentane]-5-yl)acetamide;15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,1'-cyclopentane]-6-one (PubChem CID 157078121) has the molecular formula C51H61N9O4Si and a molecular weight of 892.19 g/mol. Its IUPAC name is N-cyclopropyl-2-(6-oxospiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,1'-cyclopentane]-5-yl)acetamide;15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,1'-cyclopentane]-6-one.

Molecular Properties

• Compound Name: N-cyclopropyl-2-(6-oxospiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,1'-cyclopentane]-5-yl)acetamide;15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,1'-cyclopentane]-6-one
• PubChem CID: 157078121
• Molecular Formula: C51H61N9O4Si
• Molecular Weight: 892.19 g/mol
• Exact Mass: 891.46
• IUPAC Name: N-cyclopropyl-2-(6-oxospiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,1'-cyclopentane]-5-yl)acetamide;15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,1'-cyclopentane]-6-one
• SMILES: C[Si](C)(C)CCOCn1cc2c(n1)-c1[nH]c3cc4c(cc3c1CCC2)NC(=O)C41CCCC1.O=C(CN1C(=O)C2(CCCC2)c2cc3[nH]c4c(c3cc21)CCCc1cn[nH]c1-4)NC1CC1
• InChI: InChI=1S/C26H34N4O2Si.C25H27N5O2/c1-33(2,3)12-11-32-16-30-15-17-7-6-8-18-19-13-22-20(14-21(19)27-24(18)23(17)29-30)26(25(31)28-22)9-4-5-10-26;31-21(27-15-6-7-15)13-30-20-10-17-16-5-3-4-14-12-26-29-22(14)23(16)28-19(17)11-18(20)25(24(30)32)8-1-2-9-25/h13-15,27H,4-12,16H2,1-3H3,(H,28,31);10-12,15,28H,1-9,13H2,(H,26,29)(H,27,31)
• InChIKey: ADFGXKFKPOLXMZ-UHFFFAOYSA-N
• XLogP: 9.08
• TPSA: 165.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.19
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(6-oxospiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,1'-cyclopentane]-5-yl)acetamide;15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,1'-cyclopentane]-6-one?

The IUPAC name of N-cyclopropyl-2-(6-oxospiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,1'-cyclopentane]-5-yl)acetamide;15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,1'-cyclopentane]-6-one (CID 157078121) is N-cyclopropyl-2-(6-oxospiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,1'-cyclopentane]-5-yl)acetamide;15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,1'-cyclopentane]-6-one.

What is the SMILES notation for N-cyclopropyl-2-(6-oxospiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,1'-cyclopentane]-5-yl)acetamide;15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,1'-cyclopentane]-6-one?

The canonical SMILES for N-cyclopropyl-2-(6-oxospiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,1'-cyclopentane]-5-yl)acetamide;15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,1'-cyclopentane]-6-one is C[Si](C)(C)CCOCn1cc2c(n1)-c1[nH]c3cc4c(cc3c1CCC2)NC(=O)C41CCCC1.O=C(CN1C(=O)C2(CCCC2)c2cc3[nH]c4c(c3cc21)CCCc1cn[nH]c1-4)NC1CC1.

What is the InChIKey of N-cyclopropyl-2-(6-oxospiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,1'-cyclopentane]-5-yl)acetamide;15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,1'-cyclopentane]-6-one?

The InChIKey is ADFGXKFKPOLXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2Si.C25H27N5O2/c1-33(2,3)12-11-32-16-30-15-17-7-6-8-18-19-13-22-20(14-21(19)27-24(18)23(17)29-30)26(25(31)28-22)9-4-5-10-26;31-21(27-15-6-7-15)13-30-20-10-17-16-5-3-4-14-12-26-29-22(14)23(16)28-19(17)11-18(20)25(24(30)32)8-1-2-9-25/h13-15,27H,4-12,16H2,1-3H3,(H,28,31);10-12,15,28H,1-9,13H2,(H,26,29)(H,27,31).

What are the key properties of N-cyclopropyl-2-(6-oxospiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,1'-cyclopentane]-5-yl)acetamide;15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,1'-cyclopentane]-6-one?

N-cyclopropyl-2-(6-oxospiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,1'-cyclopentane]-5-yl)acetamide;15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,1'-cyclopentane]-6-one has a molecular weight of 892.19 g/mol, XLogP of 9.08, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-(6-oxospiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,1'-cyclopentane]-5-yl)acetamide;15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,1'-cyclopentane]-6-one is sourced from PubChem (CID 157078121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).