6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]

C23H26N4O4 — CID 163308080

About 6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]

6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine] (PubChem CID 163308080) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine].

Molecular Properties

• Compound Name: 6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
• PubChem CID: 163308080
• Molecular Formula: C23H26N4O4
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.20
• IUPAC Name: 6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
• SMILES: COc1cc2c(cc1OC)C1(CCN(Cc3nnc(-c4cccnc4)o3)CC1)OCC2
• InChI: InChI=1S/C23H26N4O4/c1-28-19-12-16-5-11-30-23(18(16)13-20(19)29-2)6-9-27(10-7-23)15-21-25-26-22(31-21)17-4-3-8-24-14-17/h3-4,8,12-14H,5-7,9-11,15H2,1-2H3
• InChIKey: ZUTCYOJTLNURPH-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 82.74 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]?

The IUPAC name of 6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine] (CID 163308080) is 6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine].

What is the SMILES notation for 6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]?

The canonical SMILES for 6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine] is COc1cc2c(cc1OC)C1(CCN(Cc3nnc(-c4cccnc4)o3)CC1)OCC2.

What is the InChIKey of 6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]?

The InChIKey is ZUTCYOJTLNURPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-28-19-12-16-5-11-30-23(18(16)13-20(19)29-2)6-9-27(10-7-23)15-21-25-26-22(31-21)17-4-3-8-24-14-17/h3-4,8,12-14H,5-7,9-11,15H2,1-2H3.

What are the key properties of 6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]?

6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine] has a molecular weight of 422.49 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine] is sourced from PubChem (CID 163308080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).