9-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one

C19H19FN6O2 — CID 54767039

IUPAC9-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one
SMILESCC1(C)CC(n2c(=O)[nH]c3cnc(-c4cnc5ccc(F)cn45)nc32)CCO1
InChIInChI=1S/C19H19FN6O2/c1-19(2)7-12(5-6-28-19)26-17-13(23-18(26)27)8-22-16(24-17)14-9-21-15-4-3-11(20)10-25(14)15/h3-4,8-10,12H,5-7H2,1-2H3,(H,23,27)
InChIKeyZVSXFWGOAHJFEB-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.70
Rot. Bonds2

About 9-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one

9-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one (PubChem CID 54767039) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 9-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one.

Molecular Properties

Compound Name9-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one
PubChem CID54767039
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name9-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one
SMILESCC1(C)CC(n2c(=O)[nH]c3cnc(-c4cnc5ccc(F)cn45)nc32)CCO1
InChIInChI=1S/C19H19FN6O2/c1-19(2)7-12(5-6-28-19)26-17-13(23-18(26)27)8-22-16(24-17)14-9-21-15-4-3-11(20)10-25(14)15/h3-4,8-10,12H,5-7H2,1-2H3,(H,23,27)
InChIKeyZVSXFWGOAHJFEB-UHFFFAOYSA-N
XLogP2.70
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one?
The IUPAC name of 9-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one (CID 54767039) is 9-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one.
What is the SMILES notation for 9-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one?
The canonical SMILES for 9-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one is CC1(C)CC(n2c(=O)[nH]c3cnc(-c4cnc5ccc(F)cn45)nc32)CCO1.
What is the InChIKey of 9-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one?
The InChIKey is ZVSXFWGOAHJFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-19(2)7-12(5-6-28-19)26-17-13(23-18(26)27)8-22-16(24-17)14-9-21-15-4-3-11(20)10-25(14)15/h3-4,8-10,12H,5-7H2,1-2H3,(H,23,27).
What are the key properties of 9-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one?
9-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one has a molecular weight of 382.40 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2-dimethyloxan-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one is sourced from PubChem (CID 54767039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).