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

C17H17FN6O — CID 56592814

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(3-methylbutan-2-yl)-7H-purin-8-one
SMILESCC(C)C(C)n1c(=O)[nH]c2cnc(-c3cnc4ccc(F)cn34)nc21
InChIInChI=1S/C17H17FN6O/c1-9(2)10(3)24-16-12(21-17(24)25)6-20-15(22-16)13-7-19-14-5-4-11(18)8-23(13)14/h4-10H,1-3H3,(H,21,25)
InChIKeyUJAOLUIFWSPVHJ-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.79
Rot. Bonds3

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

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(3-methylbutan-2-yl)-7H-purin-8-one (PubChem CID 56592814) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(3-methylbutan-2-yl)-7H-purin-8-one.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(3-methylbutan-2-yl)-7H-purin-8-one
PubChem CID56592814
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(3-methylbutan-2-yl)-7H-purin-8-one
SMILESCC(C)C(C)n1c(=O)[nH]c2cnc(-c3cnc4ccc(F)cn34)nc21
InChIInChI=1S/C17H17FN6O/c1-9(2)10(3)24-16-12(21-17(24)25)6-20-15(22-16)13-7-19-14-5-4-11(18)8-23(13)14/h4-10H,1-3H3,(H,21,25)
InChIKeyUJAOLUIFWSPVHJ-UHFFFAOYSA-N
XLogP2.79
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.79
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-(3-methylbutan-2-yl)-7H-purin-8-one?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(3-methylbutan-2-yl)-7H-purin-8-one (CID 56592814) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(3-methylbutan-2-yl)-7H-purin-8-one.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(3-methylbutan-2-yl)-7H-purin-8-one?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(3-methylbutan-2-yl)-7H-purin-8-one is CC(C)C(C)n1c(=O)[nH]c2cnc(-c3cnc4ccc(F)cn34)nc21.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(3-methylbutan-2-yl)-7H-purin-8-one?
The InChIKey is UJAOLUIFWSPVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-9(2)10(3)24-16-12(21-17(24)25)6-20-15(22-16)13-7-19-14-5-4-11(18)8-23(13)14/h4-10H,1-3H3,(H,21,25).
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(3-methylbutan-2-yl)-7H-purin-8-one?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(3-methylbutan-2-yl)-7H-purin-8-one has a molecular weight of 340.36 g/mol, XLogP of 2.79, 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-(3-methylbutan-2-yl)-7H-purin-8-one is sourced from PubChem (CID 56592814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).