2-(pyridin-4-ylmethoxy)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylpropan-1-one

C18H22N4O2 — CID 136565747

About 2-(pyridin-4-ylmethoxy)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylpropan-1-one

2-(pyridin-4-ylmethoxy)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylpropan-1-one (PubChem CID 136565747) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethoxy)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylpropan-1-one.

Molecular Properties

• Compound Name: 2-(pyridin-4-ylmethoxy)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylpropan-1-one
• PubChem CID: 136565747
• Molecular Formula: C18H22N4O2
• Molecular Weight: 326.40 g/mol
• Exact Mass: 326.17
• IUPAC Name: 2-(pyridin-4-ylmethoxy)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylpropan-1-one
• SMILES: CC(OCc1ccncc1)C(=O)N1CCc2[nH]cnc2C12CCC2
• InChI: InChI=1S/C18H22N4O2/c1-13(24-11-14-3-8-19-9-4-14)17(23)22-10-5-15-16(21-12-20-15)18(22)6-2-7-18/h3-4,8-9,12-13H,2,5-7,10-11H2,1H3,(H,20,21)
• InChIKey: TUGUMUFCELBYGO-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.40
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethoxy)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylpropan-1-one?

The IUPAC name of 2-(pyridin-4-ylmethoxy)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylpropan-1-one (CID 136565747) is 2-(pyridin-4-ylmethoxy)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylpropan-1-one.

What is the SMILES notation for 2-(pyridin-4-ylmethoxy)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylpropan-1-one?

The canonical SMILES for 2-(pyridin-4-ylmethoxy)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylpropan-1-one is CC(OCc1ccncc1)C(=O)N1CCc2[nH]cnc2C12CCC2.

What is the InChIKey of 2-(pyridin-4-ylmethoxy)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylpropan-1-one?

The InChIKey is TUGUMUFCELBYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(24-11-14-3-8-19-9-4-14)17(23)22-10-5-15-16(21-12-20-15)18(22)6-2-7-18/h3-4,8-9,12-13H,2,5-7,10-11H2,1H3,(H,20,21).

What are the key properties of 2-(pyridin-4-ylmethoxy)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylpropan-1-one?

2-(pyridin-4-ylmethoxy)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylpropan-1-one has a molecular weight of 326.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(pyridin-4-ylmethoxy)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylpropan-1-one is sourced from PubChem (CID 136565747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).