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

C20H28N6O — CID 72857907

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

cyclopropyl-[1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (PubChem CID 72857907) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is cyclopropyl-[1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
• PubChem CID: 72857907
• Molecular Formula: C20H28N6O
• Molecular Weight: 368.49 g/mol
• Exact Mass: 368.23
• IUPAC Name: cyclopropyl-[1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
• SMILES: CCn1ccnc1CN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1
• InChI: InChI=1S/C20H28N6O/c1-2-25-12-8-21-17(25)13-24-10-6-20(7-11-24)18-16(22-14-23-18)5-9-26(20)19(27)15-3-4-15/h8,12,14-15H,2-7,9-11,13H2,1H3,(H,22,23)
• InChIKey: ONMZMZRYFIPKHE-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 70.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.49
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of cyclopropyl-[1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (CID 72857907) is cyclopropyl-[1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.

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

The canonical SMILES for cyclopropyl-[1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is CCn1ccnc1CN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1.

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

The InChIKey is ONMZMZRYFIPKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-2-25-12-8-21-17(25)13-24-10-6-20(7-11-24)18-16(22-14-23-18)5-9-26(20)19(27)15-3-4-15/h8,12,14-15H,2-7,9-11,13H2,1H3,(H,22,23).

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

cyclopropyl-[1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone has a molecular weight of 368.49 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is sourced from PubChem (CID 72857907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).