2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide

C26H28F3N5O2 — CID 10345845

About 2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide

2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide (PubChem CID 10345845) has the molecular formula C26H28F3N5O2 and a molecular weight of 499.54 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide.

Molecular Properties

• Compound Name: 2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide
• PubChem CID: 10345845
• Molecular Formula: C26H28F3N5O2
• Molecular Weight: 499.54 g/mol
• Exact Mass: 499.22
• IUPAC Name: 2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide
• SMILES: CN(CCCN1CCC2(CC1)OCc1cc(F)ncc12)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
• InChI: InChI=1S/C26H28F3N5O2/c1-32(25(35)24(34-11-2-8-31-34)18-4-5-21(27)22(28)14-18)9-3-10-33-12-6-26(7-13-33)20-16-30-23(29)15-19(20)17-36-26/h2,4-5,8,11,14-16,24H,3,6-7,9-10,12-13,17H2,1H3
• InChIKey: AIRCJEQVEFTOIQ-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 63.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.54
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide?

The IUPAC name of 2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide (CID 10345845) is 2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide.

What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide?

The canonical SMILES for 2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide is CN(CCCN1CCC2(CC1)OCc1cc(F)ncc12)C(=O)C(c1ccc(F)c(F)c1)n1cccn1.

What is the InChIKey of 2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide?

The InChIKey is AIRCJEQVEFTOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O2/c1-32(25(35)24(34-11-2-8-31-34)18-4-5-21(27)22(28)14-18)9-3-10-33-12-6-26(7-13-33)20-16-30-23(29)15-19(20)17-36-26/h2,4-5,8,11,14-16,24H,3,6-7,9-10,12-13,17H2,1H3.

What are the key properties of 2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide?

2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide has a molecular weight of 499.54 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 10345845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).