(2R,3R,4R,5S,6R)-3-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]-6-(hydroxymethyl)oxane-2,4,5-triol

C23H23FN6O5 — CID 118707521

About (2R,3R,4R,5S,6R)-3-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]-6-(hydroxymethyl)oxane-2,4,5-triol

(2R,3R,4R,5S,6R)-3-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 118707521) has the molecular formula C23H23FN6O5 and a molecular weight of 482.47 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-3-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4R,5S,6R)-3-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]-6-(hydroxymethyl)oxane-2,4,5-triol
• PubChem CID: 118707521
• Molecular Formula: C23H23FN6O5
• Molecular Weight: 482.47 g/mol
• Exact Mass: 482.17
• IUPAC Name: (2R,3R,4R,5S,6R)-3-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]-6-(hydroxymethyl)oxane-2,4,5-triol
• SMILES: Cn1c(-c2cn([C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3O)nn2)nc(-c2ccc(F)cc2)c1-c1ccncc1
• InChI: InChI=1S/C23H23FN6O5/c1-29-18(13-6-8-25-9-7-13)17(12-2-4-14(24)5-3-12)26-22(29)15-10-30(28-27-15)19-21(33)20(32)16(11-31)35-23(19)34/h2-10,16,19-21,23,31-34H,11H2,1H3/t16-,19-,20-,21-,23-/m1/s1
• InChIKey: OXLSSSLDAPCKMJ-DSKKVCCRSA-N
• XLogP: 0.52
• TPSA: 151.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.47
LogP ≤ 5	0.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-3-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]-6-(hydroxymethyl)oxane-2,4,5-triol?

The IUPAC name of (2R,3R,4R,5S,6R)-3-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]-6-(hydroxymethyl)oxane-2,4,5-triol (CID 118707521) is (2R,3R,4R,5S,6R)-3-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]-6-(hydroxymethyl)oxane-2,4,5-triol.

What is the SMILES notation for (2R,3R,4R,5S,6R)-3-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]-6-(hydroxymethyl)oxane-2,4,5-triol?

The canonical SMILES for (2R,3R,4R,5S,6R)-3-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]-6-(hydroxymethyl)oxane-2,4,5-triol is Cn1c(-c2cn([C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3O)nn2)nc(-c2ccc(F)cc2)c1-c1ccncc1.

What is the InChIKey of (2R,3R,4R,5S,6R)-3-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]-6-(hydroxymethyl)oxane-2,4,5-triol?

The InChIKey is OXLSSSLDAPCKMJ-DSKKVCCRSA-N. The full InChI is InChI=1S/C23H23FN6O5/c1-29-18(13-6-8-25-9-7-13)17(12-2-4-14(24)5-3-12)26-22(29)15-10-30(28-27-15)19-21(33)20(32)16(11-31)35-23(19)34/h2-10,16,19-21,23,31-34H,11H2,1H3/t16-,19-,20-,21-,23-/m1/s1.

What are the key properties of (2R,3R,4R,5S,6R)-3-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]-6-(hydroxymethyl)oxane-2,4,5-triol?

(2R,3R,4R,5S,6R)-3-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 482.47 g/mol, XLogP of 0.52, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5S,6R)-3-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 118707521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).