3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine

C28H25N5O2 — CID 174271702

About 3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine

3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine (PubChem CID 174271702) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is 3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine.

Molecular Properties

• Compound Name: 3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine
• PubChem CID: 174271702
• Molecular Formula: C28H25N5O2
• Molecular Weight: 463.54 g/mol
• Exact Mass: 463.20
• IUPAC Name: 3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine
• SMILES: COc1c(C)nc(C)c(OCc2ccccc2)c1-c1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1
• InChI: InChI=1S/C28H25N5O2/c1-18-26(34-3)25(27(19(2)29-18)35-17-20-10-6-4-7-11-20)22-14-15-23(21-12-8-5-9-13-21)24(16-22)28-30-32-33-31-28/h4-16H,17H2,1-3H3,(H,30,31,32,33)
• InChIKey: CVDCUOJXQDSZTB-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 85.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.54
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine?

The IUPAC name of 3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine (CID 174271702) is 3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine.

What is the SMILES notation for 3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine?

The canonical SMILES for 3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine is COc1c(C)nc(C)c(OCc2ccccc2)c1-c1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1.

What is the InChIKey of 3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine?

The InChIKey is CVDCUOJXQDSZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2/c1-18-26(34-3)25(27(19(2)29-18)35-17-20-10-6-4-7-11-20)22-14-15-23(21-12-8-5-9-13-21)24(16-22)28-30-32-33-31-28/h4-16H,17H2,1-3H3,(H,30,31,32,33).

What are the key properties of 3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine?

3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine has a molecular weight of 463.54 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine is sourced from PubChem (CID 174271702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).