1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide

C26H27FN4O2 — CID 53071173

About 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide

1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide (PubChem CID 53071173) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
• PubChem CID: 53071173
• Molecular Formula: C26H27FN4O2
• Molecular Weight: 446.53 g/mol
• Exact Mass: 446.21
• IUPAC Name: 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
• SMILES: O=C(Nc1cccc2c1CCCC2)C1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1
• InChI: InChI=1S/C26H27FN4O2/c27-20-9-4-10-21(16-20)31-25(32)14-13-24(29-31)30-15-5-8-19(17-30)26(33)28-23-12-3-7-18-6-1-2-11-22(18)23/h3-4,7,9-10,12-14,16,19H,1-2,5-6,8,11,15,17H2,(H,28,33)
• InChIKey: BQGKEABNYKGASH-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.53
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?

The IUPAC name of 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide (CID 53071173) is 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?

The canonical SMILES for 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide is O=C(Nc1cccc2c1CCCC2)C1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1.

What is the InChIKey of 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?

The InChIKey is BQGKEABNYKGASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c27-20-9-4-10-21(16-20)31-25(32)14-13-24(29-31)30-15-5-8-19(17-30)26(33)28-23-12-3-7-18-6-1-2-11-22(18)23/h3-4,7,9-10,12-14,16,19H,1-2,5-6,8,11,15,17H2,(H,28,33).

What are the key properties of 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?

1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53071173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).