12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide

C24H23F3N4O4 — CID 162559242

About 12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide

12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide (PubChem CID 162559242) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is 12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide.

Molecular Properties

• Compound Name: 12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide
• PubChem CID: 162559242
• Molecular Formula: C24H23F3N4O4
• Molecular Weight: 488.47 g/mol
• Exact Mass: 488.17
• IUPAC Name: 12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide
• SMILES: O=C(NC1(CO)CCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CC(F)(F)CN3
• InChI: InChI=1S/C24H23F3N4O4/c25-15-4-2-13(3-5-15)8-14-9-28-18-19-17(14)29-10-24(26,27)11-31(19)22(35)16(20(18)33)21(34)30-23(12-32)6-1-7-23/h2-5,9,29,32-33H,1,6-8,10-12H2,(H,30,34)
• InChIKey: WWPKJCPWUYOTSZ-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 116.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.47
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide?

The IUPAC name of 12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide (CID 162559242) is 12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide.

What is the SMILES notation for 12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide?

The canonical SMILES for 12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide is O=C(NC1(CO)CCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CC(F)(F)CN3.

What is the InChIKey of 12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide?

The InChIKey is WWPKJCPWUYOTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c25-15-4-2-13(3-5-15)8-14-9-28-18-19-17(14)29-10-24(26,27)11-31(19)22(35)16(20(18)33)21(34)30-23(12-32)6-1-7-23/h2-5,9,29,32-33H,1,6-8,10-12H2,(H,30,34).

What are the key properties of 12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide?

12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide has a molecular weight of 488.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide is sourced from PubChem (CID 162559242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).