benzene;5-[[7-(5-fluoro-2-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one;N-methyl-5-oxopentanamide;5,6,7,8-tetrahydronaphthalen-2-ol

C51H64FN5O6 — CID 170729746

About benzene;5-[[7-(5-fluoro-2-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one;N-methyl-5-oxopentanamide;5,6,7,8-tetrahydronaphthalen-2-ol

benzene;5-[[7-(5-fluoro-2-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one;N-methyl-5-oxopentanamide;5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 170729746) has the molecular formula C51H64FN5O6 and a molecular weight of 862.10 g/mol. Its IUPAC name is benzene;5-[[7-(5-fluoro-2-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one;N-methyl-5-oxopentanamide;5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: benzene;5-[[7-(5-fluoro-2-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one;N-methyl-5-oxopentanamide;5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 170729746
• Molecular Formula: C51H64FN5O6
• Molecular Weight: 862.10 g/mol
• Exact Mass: 861.48
• IUPAC Name: benzene;5-[[7-(5-fluoro-2-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one;N-methyl-5-oxopentanamide;5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: CNC(=O)CCCC=O.COc1ccc(F)cc1N1CCC2(CC1)CC(CN1CCN3c4ccc5c(c4OCC3C1)CNC5=O)C2.Oc1ccc2c(c1)CCCC2.c1ccccc1
• InChI: InChI=1S/C29H35FN4O3.C10H12O.C6H11NO2.C6H6/c1-36-26-5-2-20(30)12-25(26)33-8-6-29(7-9-33)13-19(14-29)16-32-10-11-34-21(17-32)18-37-27-23-15-31-28(35)22(23)3-4-24(27)34;11-10-6-5-8-3-1-2-4-9(8)7-10;1-7-6(9)4-2-3-5-8;1-2-4-6-5-3-1/h2-5,12,19,21H,6-11,13-18H2,1H3,(H,31,35);5-7,11H,1-4H2;5H,2-4H2,1H3,(H,7,9);1-6H
• InChIKey: QCUMNCGFRXPBNA-UHFFFAOYSA-N
• XLogP: 7.72
• TPSA: 123.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.10
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzene;5-[[7-(5-fluoro-2-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one;N-methyl-5-oxopentanamide;5,6,7,8-tetrahydronaphthalen-2-ol?

The IUPAC name of benzene;5-[[7-(5-fluoro-2-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one;N-methyl-5-oxopentanamide;5,6,7,8-tetrahydronaphthalen-2-ol (CID 170729746) is benzene;5-[[7-(5-fluoro-2-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one;N-methyl-5-oxopentanamide;5,6,7,8-tetrahydronaphthalen-2-ol.

What is the SMILES notation for benzene;5-[[7-(5-fluoro-2-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one;N-methyl-5-oxopentanamide;5,6,7,8-tetrahydronaphthalen-2-ol?

The canonical SMILES for benzene;5-[[7-(5-fluoro-2-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one;N-methyl-5-oxopentanamide;5,6,7,8-tetrahydronaphthalen-2-ol is CNC(=O)CCCC=O.COc1ccc(F)cc1N1CCC2(CC1)CC(CN1CCN3c4ccc5c(c4OCC3C1)CNC5=O)C2.Oc1ccc2c(c1)CCCC2.c1ccccc1.

What is the InChIKey of benzene;5-[[7-(5-fluoro-2-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one;N-methyl-5-oxopentanamide;5,6,7,8-tetrahydronaphthalen-2-ol?

The InChIKey is QCUMNCGFRXPBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN4O3.C10H12O.C6H11NO2.C6H6/c1-36-26-5-2-20(30)12-25(26)33-8-6-29(7-9-33)13-19(14-29)16-32-10-11-34-21(17-32)18-37-27-23-15-31-28(35)22(23)3-4-24(27)34;11-10-6-5-8-3-1-2-4-9(8)7-10;1-7-6(9)4-2-3-5-8;1-2-4-6-5-3-1/h2-5,12,19,21H,6-11,13-18H2,1H3,(H,31,35);5-7,11H,1-4H2;5H,2-4H2,1H3,(H,7,9);1-6H.

What are the key properties of benzene;5-[[7-(5-fluoro-2-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one;N-methyl-5-oxopentanamide;5,6,7,8-tetrahydronaphthalen-2-ol?

benzene;5-[[7-(5-fluoro-2-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one;N-methyl-5-oxopentanamide;5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 862.10 g/mol, XLogP of 7.72, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;5-[[7-(5-fluoro-2-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one;N-methyl-5-oxopentanamide;5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 170729746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).