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

C20H17FN4O2 — CID 118241112

IUPAC[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N5CC[C@@H](F)C5)n4c3)ccc2o1
InChIInChI=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
InChIKeyGHULYEPREVCWKD-OAHLLOKOSA-N
MW364.38 g/mol
LogP3.63
Rot. Bonds2

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 CID118241112
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N5CC[C@@H](F)C5)n4c3)ccc2o1
InChIInChI=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
InChIKeyGHULYEPREVCWKD-OAHLLOKOSA-N
XLogP3.63
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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).