7-(cyclopentylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

C17H23N3O2 — CID 122652379

IUPAC7-(cyclopentylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESO=c1c2cnc(C3CCOCC3)n2ccn1CC1CCCC1
InChIInChI=1S/C17H23N3O2/c21-17-15-11-18-16(14-5-9-22-10-6-14)20(15)8-7-19(17)12-13-3-1-2-4-13/h7-8,11,13-14H,1-6,9-10,12H2
InChIKeyYXPSIYIAHYJXGI-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.58
Rot. Bonds3

About 7-(cyclopentylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

7-(cyclopentylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652379) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 7-(cyclopentylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(cyclopentylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652379
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name7-(cyclopentylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESO=c1c2cnc(C3CCOCC3)n2ccn1CC1CCCC1
InChIInChI=1S/C17H23N3O2/c21-17-15-11-18-16(14-5-9-22-10-6-14)20(15)8-7-19(17)12-13-3-1-2-4-13/h7-8,11,13-14H,1-6,9-10,12H2
InChIKeyYXPSIYIAHYJXGI-UHFFFAOYSA-N
XLogP2.58
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopentylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-(cyclopentylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652379) is 7-(cyclopentylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-(cyclopentylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-(cyclopentylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is O=c1c2cnc(C3CCOCC3)n2ccn1CC1CCCC1.
What is the InChIKey of 7-(cyclopentylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is YXPSIYIAHYJXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-17-15-11-18-16(14-5-9-22-10-6-14)20(15)8-7-19(17)12-13-3-1-2-4-13/h7-8,11,13-14H,1-6,9-10,12H2.
What are the key properties of 7-(cyclopentylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
7-(cyclopentylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 301.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopentylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).