9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-6-oxo-1-(2-oxopropylamino)-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide

C23H26F2N4O4 — CID 67960211

About 9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-6-oxo-1-(2-oxopropylamino)-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide

9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-6-oxo-1-(2-oxopropylamino)-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide (PubChem CID 67960211) has the molecular formula C23H26F2N4O4 and a molecular weight of 460.48 g/mol. Its IUPAC name is 9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-6-oxo-1-(2-oxopropylamino)-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide.

Molecular Properties

• Compound Name: 9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-6-oxo-1-(2-oxopropylamino)-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
• PubChem CID: 67960211
• Molecular Formula: C23H26F2N4O4
• Molecular Weight: 460.48 g/mol
• Exact Mass: 460.19
• IUPAC Name: 9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-6-oxo-1-(2-oxopropylamino)-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
• SMILES: CC(=O)CNC12CCC(F)(CC1)Cn1c2nc(C(=O)NCc2ccc(F)c(C)c2)c(O)c1=O
• InChI: InChI=1S/C23H26F2N4O4/c1-13-9-15(3-4-16(13)24)11-26-19(32)17-18(31)20(33)29-12-22(25)5-7-23(8-6-22,21(29)28-17)27-10-14(2)30/h3-4,9,27,31H,5-8,10-12H2,1-2H3,(H,26,32)
• InChIKey: FJPRZSXJUAVKFD-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 113.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.48
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-6-oxo-1-(2-oxopropylamino)-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?

The IUPAC name of 9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-6-oxo-1-(2-oxopropylamino)-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide (CID 67960211) is 9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-6-oxo-1-(2-oxopropylamino)-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide.

What is the SMILES notation for 9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-6-oxo-1-(2-oxopropylamino)-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?

The canonical SMILES for 9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-6-oxo-1-(2-oxopropylamino)-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide is CC(=O)CNC12CCC(F)(CC1)Cn1c2nc(C(=O)NCc2ccc(F)c(C)c2)c(O)c1=O.

What is the InChIKey of 9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-6-oxo-1-(2-oxopropylamino)-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?

The InChIKey is FJPRZSXJUAVKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O4/c1-13-9-15(3-4-16(13)24)11-26-19(32)17-18(31)20(33)29-12-22(25)5-7-23(8-6-22,21(29)28-17)27-10-14(2)30/h3-4,9,27,31H,5-8,10-12H2,1-2H3,(H,26,32).

What are the key properties of 9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-6-oxo-1-(2-oxopropylamino)-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?

9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-6-oxo-1-(2-oxopropylamino)-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide has a molecular weight of 460.48 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-6-oxo-1-(2-oxopropylamino)-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide is sourced from PubChem (CID 67960211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).