2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one

C20H15FN6O — CID 54754557

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one
SMILESC[C@H](c1ccccc1)n1c(=O)[nH]c2cnc(-c3cnc4ccc(F)cn34)nc21
InChIInChI=1S/C20H15FN6O/c1-12(13-5-3-2-4-6-13)27-19-15(24-20(27)28)9-23-18(25-19)16-10-22-17-8-7-14(21)11-26(16)17/h2-12H,1H3,(H,24,28)/t12-/m1/s1
InChIKeyJFZIAPFELLCWLF-GFCCVEGCSA-N
MW374.38 g/mol
LogP3.18
Rot. Bonds3

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one (PubChem CID 54754557) has the molecular formula C20H15FN6O and a molecular weight of 374.38 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one
PubChem CID54754557
Molecular FormulaC20H15FN6O
Molecular Weight374.38 g/mol
Exact Mass374.13
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one
SMILESC[C@H](c1ccccc1)n1c(=O)[nH]c2cnc(-c3cnc4ccc(F)cn34)nc21
InChIInChI=1S/C20H15FN6O/c1-12(13-5-3-2-4-6-13)27-19-15(24-20(27)28)9-23-18(25-19)16-10-22-17-8-7-14(21)11-26(16)17/h2-12H,1H3,(H,24,28)/t12-/m1/s1
InChIKeyJFZIAPFELLCWLF-GFCCVEGCSA-N
XLogP3.18
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one (CID 54754557) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one is C[C@H](c1ccccc1)n1c(=O)[nH]c2cnc(-c3cnc4ccc(F)cn34)nc21.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one?
The InChIKey is JFZIAPFELLCWLF-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H15FN6O/c1-12(13-5-3-2-4-6-13)27-19-15(24-20(27)28)9-23-18(25-19)16-10-22-17-8-7-14(21)11-26(16)17/h2-12H,1H3,(H,24,28)/t12-/m1/s1.
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one has a molecular weight of 374.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one is sourced from PubChem (CID 54754557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).