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

C18H25N3O2 — CID 122652369

IUPAC7-(cyclohexylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESO=c1c2cnc(C3CCOCC3)n2ccn1CC1CCCCC1
InChIInChI=1S/C18H25N3O2/c22-18-16-12-19-17(15-6-10-23-11-7-15)21(16)9-8-20(18)13-14-4-2-1-3-5-14/h8-9,12,14-15H,1-7,10-11,13H2
InChIKeyXXIPRLNKXMMFIK-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.97
Rot. Bonds3

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

7-(cyclohexylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652369) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652369
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name7-(cyclohexylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESO=c1c2cnc(C3CCOCC3)n2ccn1CC1CCCCC1
InChIInChI=1S/C18H25N3O2/c22-18-16-12-19-17(15-6-10-23-11-7-15)21(16)9-8-20(18)13-14-4-2-1-3-5-14/h8-9,12,14-15H,1-7,10-11,13H2
InChIKeyXXIPRLNKXMMFIK-UHFFFAOYSA-N
XLogP2.97
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-(cyclohexylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652369) is 7-(cyclohexylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-(cyclohexylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is O=c1c2cnc(C3CCOCC3)n2ccn1CC1CCCCC1.
What is the InChIKey of 7-(cyclohexylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is XXIPRLNKXMMFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-18-16-12-19-17(15-6-10-23-11-7-15)21(16)9-8-20(18)13-14-4-2-1-3-5-14/h8-9,12,14-15H,1-7,10-11,13H2.
What are the key properties of 7-(cyclohexylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
7-(cyclohexylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 315.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).