N-[6-[3-fluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]azetidin-3-yl]-6-oxohexyl]-N-propylcyclopropanecarboxamide

C24H32F4N4O3 — CID 171493215

About N-[6-[3-fluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]azetidin-3-yl]-6-oxohexyl]-N-propylcyclopropanecarboxamide

N-[6-[3-fluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]azetidin-3-yl]-6-oxohexyl]-N-propylcyclopropanecarboxamide (PubChem CID 171493215) has the molecular formula C24H32F4N4O3 and a molecular weight of 500.54 g/mol. Its IUPAC name is N-[6-[3-fluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]azetidin-3-yl]-6-oxohexyl]-N-propylcyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-[3-fluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]azetidin-3-yl]-6-oxohexyl]-N-propylcyclopropanecarboxamide
• PubChem CID: 171493215
• Molecular Formula: C24H32F4N4O3
• Molecular Weight: 500.54 g/mol
• Exact Mass: 500.24
• IUPAC Name: N-[6-[3-fluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]azetidin-3-yl]-6-oxohexyl]-N-propylcyclopropanecarboxamide
• SMILES: CCCN(CCCCCC(=O)C1(F)CN(C2CCc3c2n[nH]c(=O)c3C(F)(F)F)C1)C(=O)C1CC1
• InChI: InChI=1S/C24H32F4N4O3/c1-2-11-31(22(35)15-7-8-15)12-5-3-4-6-18(33)23(25)13-32(14-23)17-10-9-16-19(24(26,27)28)21(34)30-29-20(16)17/h15,17H,2-14H2,1H3,(H,30,34)
• InChIKey: QTOXTYNNFGAWLR-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 86.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.54
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-fluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]azetidin-3-yl]-6-oxohexyl]-N-propylcyclopropanecarboxamide?

The IUPAC name of N-[6-[3-fluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]azetidin-3-yl]-6-oxohexyl]-N-propylcyclopropanecarboxamide (CID 171493215) is N-[6-[3-fluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]azetidin-3-yl]-6-oxohexyl]-N-propylcyclopropanecarboxamide.

What is the SMILES notation for N-[6-[3-fluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]azetidin-3-yl]-6-oxohexyl]-N-propylcyclopropanecarboxamide?

The canonical SMILES for N-[6-[3-fluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]azetidin-3-yl]-6-oxohexyl]-N-propylcyclopropanecarboxamide is CCCN(CCCCCC(=O)C1(F)CN(C2CCc3c2n[nH]c(=O)c3C(F)(F)F)C1)C(=O)C1CC1.

What is the InChIKey of N-[6-[3-fluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]azetidin-3-yl]-6-oxohexyl]-N-propylcyclopropanecarboxamide?

The InChIKey is QTOXTYNNFGAWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F4N4O3/c1-2-11-31(22(35)15-7-8-15)12-5-3-4-6-18(33)23(25)13-32(14-23)17-10-9-16-19(24(26,27)28)21(34)30-29-20(16)17/h15,17H,2-14H2,1H3,(H,30,34).

What are the key properties of N-[6-[3-fluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]azetidin-3-yl]-6-oxohexyl]-N-propylcyclopropanecarboxamide?

N-[6-[3-fluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]azetidin-3-yl]-6-oxohexyl]-N-propylcyclopropanecarboxamide has a molecular weight of 500.54 g/mol, XLogP of 3.58, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[3-fluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]azetidin-3-yl]-6-oxohexyl]-N-propylcyclopropanecarboxamide is sourced from PubChem (CID 171493215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).