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

C17H15FN6O2 — CID 54766726

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one
SMILESO=c1[nH]c2cnc(-c3cnc4ccc(F)cn34)nc2n1C1CCOCC1
InChIInChI=1S/C17H15FN6O2/c18-10-1-2-14-19-8-13(23(14)9-10)15-20-7-12-16(22-15)24(17(25)21-12)11-3-5-26-6-4-11/h1-2,7-9,11H,3-6H2,(H,21,25)
InChIKeyNTFXSLRFNIPLJJ-UHFFFAOYSA-N
MW354.35 g/mol
LogP1.92
Rot. Bonds2

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

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one (PubChem CID 54766726) has the molecular formula C17H15FN6O2 and a molecular weight of 354.35 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one
PubChem CID54766726
Molecular FormulaC17H15FN6O2
Molecular Weight354.35 g/mol
Exact Mass354.12
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one
SMILESO=c1[nH]c2cnc(-c3cnc4ccc(F)cn34)nc2n1C1CCOCC1
InChIInChI=1S/C17H15FN6O2/c18-10-1-2-14-19-8-13(23(14)9-10)15-20-7-12-16(22-15)24(17(25)21-12)11-3-5-26-6-4-11/h1-2,7-9,11H,3-6H2,(H,21,25)
InChIKeyNTFXSLRFNIPLJJ-UHFFFAOYSA-N
XLogP1.92
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one (CID 54766726) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one is O=c1[nH]c2cnc(-c3cnc4ccc(F)cn34)nc2n1C1CCOCC1.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one?
The InChIKey is NTFXSLRFNIPLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O2/c18-10-1-2-14-19-8-13(23(14)9-10)15-20-7-12-16(22-15)24(17(25)21-12)11-3-5-26-6-4-11/h1-2,7-9,11H,3-6H2,(H,21,25).
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one has a molecular weight of 354.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one is sourced from PubChem (CID 54766726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).