7-(cycloheptylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

C20H29N3O2 — CID 122652324

IUPAC7-(cycloheptylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1CC1CCCCCC1
InChIInChI=1S/C20H29N3O2/c1-15-13-23-18(12-21-19(23)17-8-10-25-11-9-17)20(24)22(15)14-16-6-4-2-3-5-7-16/h12-13,16-17H,2-11,14H2,1H3
InChIKeyFIIDAEWKLGRESO-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.67
Rot. Bonds3

About 7-(cycloheptylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

7-(cycloheptylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652324) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 7-(cycloheptylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(cycloheptylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652324
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name7-(cycloheptylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1CC1CCCCCC1
InChIInChI=1S/C20H29N3O2/c1-15-13-23-18(12-21-19(23)17-8-10-25-11-9-17)20(24)22(15)14-16-6-4-2-3-5-7-16/h12-13,16-17H,2-11,14H2,1H3
InChIKeyFIIDAEWKLGRESO-UHFFFAOYSA-N
XLogP3.67
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(cycloheptylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(cycloheptylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-(cycloheptylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652324) is 7-(cycloheptylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-(cycloheptylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-(cycloheptylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is Cc1cn2c(C3CCOCC3)ncc2c(=O)n1CC1CCCCCC1.
What is the InChIKey of 7-(cycloheptylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is FIIDAEWKLGRESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-13-23-18(12-21-19(23)17-8-10-25-11-9-17)20(24)22(15)14-16-6-4-2-3-5-7-16/h12-13,16-17H,2-11,14H2,1H3.
What are the key properties of 7-(cycloheptylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
7-(cycloheptylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 343.47 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cycloheptylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).