[8-(3-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol

C26H26FN5O2 — CID 66839397

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

[8-(3-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol (PubChem CID 66839397) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is [8-(3-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol.

Molecular Properties

• Compound Name: [8-(3-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
• PubChem CID: 66839397
• Molecular Formula: C26H26FN5O2
• Molecular Weight: 459.53 g/mol
• Exact Mass: 459.21
• IUPAC Name: [8-(3-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
• SMILES: COc1cc(C=Cc2nc3n(n2)CCCC3(CO)c2cccc(F)c2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C26H26FN5O2/c1-18-15-31(17-28-18)22-9-7-19(13-23(22)34-2)8-10-24-29-25-26(16-33,11-4-12-32(25)30-24)20-5-3-6-21(27)14-20/h3,5-10,13-15,17,33H,4,11-12,16H2,1-2H3
• InChIKey: ZZUQDXKNZOFFNA-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 77.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.53
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [8-(3-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol (CID 66839397) is [8-(3-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol.

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

The canonical SMILES for [8-(3-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol is COc1cc(C=Cc2nc3n(n2)CCCC3(CO)c2cccc(F)c2)ccc1-n1cnc(C)c1.

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

The InChIKey is ZZUQDXKNZOFFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-18-15-31(17-28-18)22-9-7-19(13-23(22)34-2)8-10-24-29-25-26(16-33,11-4-12-32(25)30-24)20-5-3-6-21(27)14-20/h3,5-10,13-15,17,33H,4,11-12,16H2,1-2H3.

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

[8-(3-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol has a molecular weight of 459.53 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [8-(3-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol is sourced from PubChem (CID 66839397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).