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

C19H19FN6O3 — CID 70650259

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7-(2-hydroxyethyl)-9-(oxan-4-yl)purin-8-one
SMILESO=c1n(CCO)c2cnc(-c3cnc4ccc(F)cn34)nc2n1C1CCOCC1
InChIInChI=1S/C19H19FN6O3/c20-12-1-2-16-21-9-14(25(16)11-12)17-22-10-15-18(23-17)26(13-3-7-29-8-4-13)19(28)24(15)5-6-27/h1-2,9-11,13,27H,3-8H2
InChIKeyPHYQLBPRWUNVCN-UHFFFAOYSA-N
MW398.40 g/mol
LogP1.39
Rot. Bonds4

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

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7-(2-hydroxyethyl)-9-(oxan-4-yl)purin-8-one (PubChem CID 70650259) has the molecular formula C19H19FN6O3 and a molecular weight of 398.40 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7-(2-hydroxyethyl)-9-(oxan-4-yl)purin-8-one.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7-(2-hydroxyethyl)-9-(oxan-4-yl)purin-8-one
PubChem CID70650259
Molecular FormulaC19H19FN6O3
Molecular Weight398.40 g/mol
Exact Mass398.15
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7-(2-hydroxyethyl)-9-(oxan-4-yl)purin-8-one
SMILESO=c1n(CCO)c2cnc(-c3cnc4ccc(F)cn34)nc2n1C1CCOCC1
InChIInChI=1S/C19H19FN6O3/c20-12-1-2-16-21-9-14(25(16)11-12)17-22-10-15-18(23-17)26(13-3-7-29-8-4-13)19(28)24(15)5-6-27/h1-2,9-11,13,27H,3-8H2
InChIKeyPHYQLBPRWUNVCN-UHFFFAOYSA-N
XLogP1.39
TPSA99.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
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)-7-(2-hydroxyethyl)-9-(oxan-4-yl)purin-8-one?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7-(2-hydroxyethyl)-9-(oxan-4-yl)purin-8-one (CID 70650259) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7-(2-hydroxyethyl)-9-(oxan-4-yl)purin-8-one.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7-(2-hydroxyethyl)-9-(oxan-4-yl)purin-8-one?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7-(2-hydroxyethyl)-9-(oxan-4-yl)purin-8-one is O=c1n(CCO)c2cnc(-c3cnc4ccc(F)cn34)nc2n1C1CCOCC1.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7-(2-hydroxyethyl)-9-(oxan-4-yl)purin-8-one?
The InChIKey is PHYQLBPRWUNVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O3/c20-12-1-2-16-21-9-14(25(16)11-12)17-22-10-15-18(23-17)26(13-3-7-29-8-4-13)19(28)24(15)5-6-27/h1-2,9-11,13,27H,3-8H2.
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7-(2-hydroxyethyl)-9-(oxan-4-yl)purin-8-one?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7-(2-hydroxyethyl)-9-(oxan-4-yl)purin-8-one has a molecular weight of 398.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 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)-7-(2-hydroxyethyl)-9-(oxan-4-yl)purin-8-one is sourced from PubChem (CID 70650259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).