(8R)-8-methoxy-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine

C27H29N5O3 — CID 91315733

About (8R)-8-methoxy-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine

(8R)-8-methoxy-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 91315733) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is (8R)-8-methoxy-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: (8R)-8-methoxy-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 91315733
• Molecular Formula: C27H29N5O3
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.23
• IUPAC Name: (8R)-8-methoxy-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1ccc([C@]2(OC)CCCn3nc(C=Cc4ccc(-n5cnc(C)c5)c(OC)c4)nc32)cc1
• InChI: InChI=1S/C27H29N5O3/c1-19-17-31(18-28-19)23-12-6-20(16-24(23)34-3)7-13-25-29-26-27(35-4,14-5-15-32(26)30-25)21-8-10-22(33-2)11-9-21/h6-13,16-18H,5,14-15H2,1-4H3/t27-/m1/s1
• InChIKey: HHZBYCZWQLBOCA-HHHXNRCGSA-N
• XLogP: 4.64
• TPSA: 76.22 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (8R)-8-methoxy-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of (8R)-8-methoxy-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine (CID 91315733) is (8R)-8-methoxy-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for (8R)-8-methoxy-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for (8R)-8-methoxy-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc([C@]2(OC)CCCn3nc(C=Cc4ccc(-n5cnc(C)c5)c(OC)c4)nc32)cc1.

What is the InChIKey of (8R)-8-methoxy-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is HHZBYCZWQLBOCA-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-19-17-31(18-28-19)23-12-6-20(16-24(23)34-3)7-13-25-29-26-27(35-4,14-5-15-32(26)30-25)21-8-10-22(33-2)11-9-21/h6-13,16-18H,5,14-15H2,1-4H3/t27-/m1/s1.

What are the key properties of (8R)-8-methoxy-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?

(8R)-8-methoxy-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 471.56 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-8-methoxy-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 91315733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).