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

C19H27N3O2 — CID 122652262

IUPAC7-(cycloheptylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESO=c1c2cnc(C3CCOCC3)n2ccn1CC1CCCCCC1
InChIInChI=1S/C19H27N3O2/c23-19-17-13-20-18(16-7-11-24-12-8-16)22(17)10-9-21(19)14-15-5-3-1-2-4-6-15/h9-10,13,15-16H,1-8,11-12,14H2
InChIKeySGRJQQJTJHBFTK-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.36
Rot. Bonds3

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

7-(cycloheptylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652262) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 7-(cycloheptylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(cycloheptylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652262
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name7-(cycloheptylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESO=c1c2cnc(C3CCOCC3)n2ccn1CC1CCCCCC1
InChIInChI=1S/C19H27N3O2/c23-19-17-13-20-18(16-7-11-24-12-8-16)22(17)10-9-21(19)14-15-5-3-1-2-4-6-15/h9-10,13,15-16H,1-8,11-12,14H2
InChIKeySGRJQQJTJHBFTK-UHFFFAOYSA-N
XLogP3.36
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cycloheptylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-(cycloheptylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652262) is 7-(cycloheptylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-(cycloheptylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-(cycloheptylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is O=c1c2cnc(C3CCOCC3)n2ccn1CC1CCCCCC1.
What is the InChIKey of 7-(cycloheptylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is SGRJQQJTJHBFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-19-17-13-20-18(16-7-11-24-12-8-16)22(17)10-9-21(19)14-15-5-3-1-2-4-6-15/h9-10,13,15-16H,1-8,11-12,14H2.
What are the key properties of 7-(cycloheptylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
7-(cycloheptylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 329.44 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cycloheptylmethyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).