1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-ethylimidazol-1-yl)ethanone

C21H28N6O2 — CID 72908795

About 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-ethylimidazol-1-yl)ethanone

1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-ethylimidazol-1-yl)ethanone (PubChem CID 72908795) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-ethylimidazol-1-yl)ethanone.

Molecular Properties

• Compound Name: 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-ethylimidazol-1-yl)ethanone
• PubChem CID: 72908795
• Molecular Formula: C21H28N6O2
• Molecular Weight: 396.50 g/mol
• Exact Mass: 396.23
• IUPAC Name: 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-ethylimidazol-1-yl)ethanone
• SMILES: CCc1nccn1CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1
• InChI: InChI=1S/C21H28N6O2/c1-2-17-22-8-12-26(17)13-18(28)25-10-6-21(7-11-25)19-16(23-14-24-19)5-9-27(21)20(29)15-3-4-15/h8,12,14-15H,2-7,9-11,13H2,1H3,(H,23,24)
• InChIKey: VOKXPJVSPFPVQM-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 87.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.50
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-ethylimidazol-1-yl)ethanone?

The IUPAC name of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-ethylimidazol-1-yl)ethanone (CID 72908795) is 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-ethylimidazol-1-yl)ethanone.

What is the SMILES notation for 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-ethylimidazol-1-yl)ethanone?

The canonical SMILES for 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-ethylimidazol-1-yl)ethanone is CCc1nccn1CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1.

What is the InChIKey of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-ethylimidazol-1-yl)ethanone?

The InChIKey is VOKXPJVSPFPVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-2-17-22-8-12-26(17)13-18(28)25-10-6-21(7-11-25)19-16(23-14-24-19)5-9-27(21)20(29)15-3-4-15/h8,12,14-15H,2-7,9-11,13H2,1H3,(H,23,24).

What are the key properties of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-ethylimidazol-1-yl)ethanone?

1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-ethylimidazol-1-yl)ethanone has a molecular weight of 396.50 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-ethylimidazol-1-yl)ethanone is sourced from PubChem (CID 72908795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).