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

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Related Compounds

Azd-7648
CID 135151360
Gsk-3494245
CID 126571915
2-(4-((4-imidazo(1,2-a)pyridin-3-ylpyrimidin-2-yl)amino)piperidin-1-yl)-N-methylacetamide
CID 24801863
3-[7-(2-Hydroxyethyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766427
1-Cyclopentyl-N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-1h-Imidazo[4,5-C]pyridin-6-Amine
CID 90178371
N-[2-[(3r,4s)-3-Fluoranyl-4-Methoxy-Piperidin-1-Yl]pyrimidin-4-Yl]-2-Methyl-1-Propan-2-Yl-Imidazo[4,5-C]pyridin-6-Amine
CID 90183560
N-[4-(2-Methylimidazo[1,2-A]pyridin-3-YL)-2-pyrimidinyl]acetamide
CID 447652
Piperazine carbamate/urea derivative 4
CID 89487751
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one
CID 54754557
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-7H-purin-8-one
CID 56591424
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-7H-purin-8-one
CID 67123577
7-Methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
CID 155537053

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).