(3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide

C16H14FN7O2 — CID 67124089

IUPAC(3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide
SMILESC[C@H](CC(N)=O)n1c(=O)[nH]c2cnc(-c3cnc4ccc(F)cn34)nc21
InChIInChI=1S/C16H14FN7O2/c1-8(4-12(18)25)24-15-10(21-16(24)26)5-20-14(22-15)11-6-19-13-3-2-9(17)7-23(11)13/h2-3,5-8H,4H2,1H3,(H2,18,25)(H,21,26)/t8-/m1/s1
InChIKeyGVRQKOAPBZODRQ-MRVPVSSYSA-N
MW355.33 g/mol
LogP1.01
Rot. Bonds4

About (3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide

(3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide (PubChem CID 67124089) has the molecular formula C16H14FN7O2 and a molecular weight of 355.33 g/mol. Its IUPAC name is (3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide.

Molecular Properties

Compound Name(3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide
PubChem CID67124089
Molecular FormulaC16H14FN7O2
Molecular Weight355.33 g/mol
Exact Mass355.12
IUPAC Name(3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide
SMILESC[C@H](CC(N)=O)n1c(=O)[nH]c2cnc(-c3cnc4ccc(F)cn34)nc21
InChIInChI=1S/C16H14FN7O2/c1-8(4-12(18)25)24-15-10(21-16(24)26)5-20-14(22-15)11-6-19-13-3-2-9(17)7-23(11)13/h2-3,5-8H,4H2,1H3,(H2,18,25)(H,21,26)/t8-/m1/s1
InChIKeyGVRQKOAPBZODRQ-MRVPVSSYSA-N
XLogP1.01
TPSA123.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide?
The IUPAC name of (3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide (CID 67124089) is (3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide.
What is the SMILES notation for (3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide?
The canonical SMILES for (3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide is C[C@H](CC(N)=O)n1c(=O)[nH]c2cnc(-c3cnc4ccc(F)cn34)nc21.
What is the InChIKey of (3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide?
The InChIKey is GVRQKOAPBZODRQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H14FN7O2/c1-8(4-12(18)25)24-15-10(21-16(24)26)5-20-14(22-15)11-6-19-13-3-2-9(17)7-23(11)13/h2-3,5-8H,4H2,1H3,(H2,18,25)(H,21,26)/t8-/m1/s1.
What are the key properties of (3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide?
(3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide has a molecular weight of 355.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide is sourced from PubChem (CID 67124089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).