3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole

C₁₉H₁₉N₅O₂ — CID 154822887

About 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole

3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole (PubChem CID 154822887) has the molecular formula C₁₉H₁₉N₅O₂ and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole
• PubChem CID: 154822887
• Molecular Formula: C₁₉H₁₉N₅O₂
• Molecular Weight: 349.39 g/mol
• Exact Mass: 349.15
• IUPAC Name: 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole
• SMILES: Cc1cc(C[C@@H]2COC[C@@H]2n2ccnc2-c2cccc3ccnn23)on1
• InChI: InChI=1S/C19H19N5O2/c1-13-9-16(26-22-13)10-14-11-25-12-18(14)23-8-7-20-19(23)17-4-2-3-15-5-6-21-24(15)17/h2-9,14,18H,10-12H2,1H3/t14-,18+/m1/s1
• InChIKey: CUIUPZBCAMKQNT-KDOFPFPSSA-N
• XLogP: 2.92
• TPSA: 70.38 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.39
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole?

The IUPAC name of 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole (CID 154822887) is 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole.

What is the SMILES notation for 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole?

The canonical SMILES for 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole is Cc1cc(C[C@@H]2COC[C@@H]2n2ccnc2-c2cccc3ccnn23)on1.

What is the InChIKey of 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole?

The InChIKey is CUIUPZBCAMKQNT-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-9-16(26-22-13)10-14-11-25-12-18(14)23-8-7-20-19(23)17-4-2-3-15-5-6-21-24(15)17/h2-9,14,18H,10-12H2,1H3/t14-,18+/m1/s1.

What are the key properties of 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole?

3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole has a molecular weight of 349.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 154822887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154822887 — identifiers, structure, computed properties (public domain)

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