[(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate

C23H23N3O6 — CID 162671119

About [(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate

[(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate (PubChem CID 162671119) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is [(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: [(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
• PubChem CID: 162671119
• Molecular Formula: C23H23N3O6
• Molecular Weight: 437.45 g/mol
• Exact Mass: 437.16
• IUPAC Name: [(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
• SMILES: COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC[C@H](C)CO)CC3)nc12
• InChI: InChI=1S/C23H23N3O6/c1-13(10-27)11-32-22(29)23(7-8-23)21-24-19-18(30-2)6-5-17(26(19)25-21)14-3-4-16-15(9-14)12-31-20(16)28/h3-6,9,13,27H,7-8,10-12H2,1-2H3/t13-/m1/s1
• InChIKey: XUEPZMOPXCQOLW-CYBMUJFWSA-N
• XLogP: 2.28
• TPSA: 112.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.45
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate?

The IUPAC name of [(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate (CID 162671119) is [(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate.

What is the SMILES notation for [(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate?

The canonical SMILES for [(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate is COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC[C@H](C)CO)CC3)nc12.

What is the InChIKey of [(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate?

The InChIKey is XUEPZMOPXCQOLW-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-13(10-27)11-32-22(29)23(7-8-23)21-24-19-18(30-2)6-5-17(26(19)25-21)14-3-4-16-15(9-14)12-31-20(16)28/h3-6,9,13,27H,7-8,10-12H2,1-2H3/t13-/m1/s1.

What are the key properties of [(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate?

[(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate has a molecular weight of 437.45 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 162671119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).