[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone

C₂₀H₁₇FN₄O₂ — CID 118241112

About [(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone

[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone (PubChem CID 118241112) has the molecular formula C₂₀H₁₇FN₄O₂ and a molecular weight of 364.38 g/mol. Its IUPAC name is [(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone.

Molecular Properties

• Compound Name: [(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
• PubChem CID: 118241112
• Molecular Formula: C₂₀H₁₇FN₄O₂
• Molecular Weight: 364.38 g/mol
• Exact Mass: 364.13
• IUPAC Name: [(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
• SMILES: Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC[C@@H](F)C5)n4c3)ccc2o1
• InChI: InChI=1S/C20H17FN4O2/c1-12-23-16-8-13(2-4-18(16)27-12)14-3-5-19-22-9-17(25(19)10-14)20(26)24-7-6-15(21)11-24/h2-5,8-10,15H,6-7,11H2,1H3/t15-/m1/s1
• InChIKey: GHULYEPREVCWKD-OAHLLOKOSA-N
• XLogP: 3.63
• TPSA: 63.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.38
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?

The IUPAC name of [(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone (CID 118241112) is [(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone.

What is the SMILES notation for [(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?

The canonical SMILES for [(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone is Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC[C@@H](F)C5)n4c3)ccc2o1.

What is the InChIKey of [(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?

The InChIKey is GHULYEPREVCWKD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-12-23-16-8-13(2-4-18(16)27-12)14-3-5-19-22-9-17(25(19)10-14)20(26)24-7-6-15(21)11-24/h2-5,8-10,15H,6-7,11H2,1H3/t15-/m1/s1.

What are the key properties of [(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?

[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone has a molecular weight of 364.38 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone is sourced from PubChem (CID 118241112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118241112 — identifiers, structure, computed properties (public domain)

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