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

C21H23FN8O2 — CID 67123674

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-6-piperazin-1-yl-7H-purin-8-one
SMILESO=c1[nH]c2c(N3CCNCC3)nc(-c3cnc4ccc(F)cn34)nc2n1C1CCOCC1
InChIInChI=1S/C21H23FN8O2/c22-13-1-2-16-24-11-15(29(16)12-13)18-26-19(28-7-5-23-6-8-28)17-20(27-18)30(21(31)25-17)14-3-9-32-10-4-14/h1-2,11-12,14,23H,3-10H2,(H,25,31)
InChIKeyOBJRCYZMSOGKRH-UHFFFAOYSA-N
MW438.47 g/mol
LogP1.33
Rot. Bonds3

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

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-6-piperazin-1-yl-7H-purin-8-one (PubChem CID 67123674) has the molecular formula C21H23FN8O2 and a molecular weight of 438.47 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-6-piperazin-1-yl-7H-purin-8-one.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-6-piperazin-1-yl-7H-purin-8-one
PubChem CID67123674
Molecular FormulaC21H23FN8O2
Molecular Weight438.47 g/mol
Exact Mass438.19
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-6-piperazin-1-yl-7H-purin-8-one
SMILESO=c1[nH]c2c(N3CCNCC3)nc(-c3cnc4ccc(F)cn34)nc2n1C1CCOCC1
InChIInChI=1S/C21H23FN8O2/c22-13-1-2-16-24-11-15(29(16)12-13)18-26-19(28-7-5-23-6-8-28)17-20(27-18)30(21(31)25-17)14-3-9-32-10-4-14/h1-2,11-12,14,23H,3-10H2,(H,25,31)
InChIKeyOBJRCYZMSOGKRH-UHFFFAOYSA-N
XLogP1.33
TPSA105.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-6-piperazin-1-yl-7H-purin-8-one?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-6-piperazin-1-yl-7H-purin-8-one (CID 67123674) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-6-piperazin-1-yl-7H-purin-8-one.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-6-piperazin-1-yl-7H-purin-8-one?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-6-piperazin-1-yl-7H-purin-8-one is O=c1[nH]c2c(N3CCNCC3)nc(-c3cnc4ccc(F)cn34)nc2n1C1CCOCC1.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-6-piperazin-1-yl-7H-purin-8-one?
The InChIKey is OBJRCYZMSOGKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN8O2/c22-13-1-2-16-24-11-15(29(16)12-13)18-26-19(28-7-5-23-6-8-28)17-20(27-18)30(21(31)25-17)14-3-9-32-10-4-14/h1-2,11-12,14,23H,3-10H2,(H,25,31).
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-6-piperazin-1-yl-7H-purin-8-one?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-6-piperazin-1-yl-7H-purin-8-one has a molecular weight of 438.47 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 9 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)-6-piperazin-1-yl-7H-purin-8-one is sourced from PubChem (CID 67123674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).