N-[(6R)-6-[2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-4-oxo-2-[3-(trifluoromethoxy)propyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide

C24H26F8N4O6S — CID 155115818

About N-[(6R)-6-[2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-4-oxo-2-[3-(trifluoromethoxy)propyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide

N-[(6R)-6-[2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-4-oxo-2-[3-(trifluoromethoxy)propyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide (PubChem CID 155115818) has the molecular formula C24H26F8N4O6S and a molecular weight of 650.54 g/mol. Its IUPAC name is N-[(6R)-6-[2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-4-oxo-2-[3-(trifluoromethoxy)propyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide.

Molecular Properties

• Compound Name: N-[(6R)-6-[2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-4-oxo-2-[3-(trifluoromethoxy)propyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide
• PubChem CID: 155115818
• Molecular Formula: C24H26F8N4O6S
• Molecular Weight: 650.54 g/mol
• Exact Mass: 650.14
• IUPAC Name: N-[(6R)-6-[2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-4-oxo-2-[3-(trifluoromethoxy)propyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide
• SMILES: CCc1cc(OCC(F)(F)C(F)(F)F)ccc1[C@H]1Cc2nn(CCCOC(F)(F)F)c(NC(=O)CS(C)(=O)=O)c2C(=O)N1
• InChI: InChI=1S/C24H26F8N4O6S/c1-3-13-9-14(41-12-22(25,26)23(27,28)29)5-6-15(13)16-10-17-19(21(38)33-16)20(34-18(37)11-43(2,39)40)36(35-17)7-4-8-42-24(30,31)32/h5-6,9,16H,3-4,7-8,10-12H2,1-2H3,(H,33,38)(H,34,37)/t16-/m1/s1
• InChIKey: ZZJHGRXGTHYGRL-MRXNPFEDSA-N
• XLogP: 3.96
• TPSA: 128.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	650.54
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-6-[2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-4-oxo-2-[3-(trifluoromethoxy)propyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide?

The IUPAC name of N-[(6R)-6-[2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-4-oxo-2-[3-(trifluoromethoxy)propyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide (CID 155115818) is N-[(6R)-6-[2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-4-oxo-2-[3-(trifluoromethoxy)propyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide.

What is the SMILES notation for N-[(6R)-6-[2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-4-oxo-2-[3-(trifluoromethoxy)propyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide?

The canonical SMILES for N-[(6R)-6-[2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-4-oxo-2-[3-(trifluoromethoxy)propyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide is CCc1cc(OCC(F)(F)C(F)(F)F)ccc1[C@H]1Cc2nn(CCCOC(F)(F)F)c(NC(=O)CS(C)(=O)=O)c2C(=O)N1.

What is the InChIKey of N-[(6R)-6-[2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-4-oxo-2-[3-(trifluoromethoxy)propyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide?

The InChIKey is ZZJHGRXGTHYGRL-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26F8N4O6S/c1-3-13-9-14(41-12-22(25,26)23(27,28)29)5-6-15(13)16-10-17-19(21(38)33-16)20(34-18(37)11-43(2,39)40)36(35-17)7-4-8-42-24(30,31)32/h5-6,9,16H,3-4,7-8,10-12H2,1-2H3,(H,33,38)(H,34,37)/t16-/m1/s1.

What are the key properties of N-[(6R)-6-[2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-4-oxo-2-[3-(trifluoromethoxy)propyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide?

N-[(6R)-6-[2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-4-oxo-2-[3-(trifluoromethoxy)propyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide has a molecular weight of 650.54 g/mol, XLogP of 3.96, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6R)-6-[2-ethyl-4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-4-oxo-2-[3-(trifluoromethoxy)propyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide is sourced from PubChem (CID 155115818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).