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

C20H29N3O2 — CID 122652228

IUPAC6-methyl-7-[(4-methylcyclohexyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1CC1CCC(C)CC1
InChIInChI=1S/C20H29N3O2/c1-14-3-5-16(6-4-14)13-22-15(2)12-23-18(20(22)24)11-21-19(23)17-7-9-25-10-8-17/h11-12,14,16-17H,3-10,13H2,1-2H3
InChIKeyOUZGHMLKYZAFHY-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.52
Rot. Bonds3

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

6-methyl-7-[(4-methylcyclohexyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652228) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 6-methyl-7-[(4-methylcyclohexyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name6-methyl-7-[(4-methylcyclohexyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652228
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name6-methyl-7-[(4-methylcyclohexyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1CC1CCC(C)CC1
InChIInChI=1S/C20H29N3O2/c1-14-3-5-16(6-4-14)13-22-15(2)12-23-18(20(22)24)11-21-19(23)17-7-9-25-10-8-17/h11-12,14,16-17H,3-10,13H2,1-2H3
InChIKeyOUZGHMLKYZAFHY-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[(4-methylcyclohexyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 6-methyl-7-[(4-methylcyclohexyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652228) is 6-methyl-7-[(4-methylcyclohexyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 6-methyl-7-[(4-methylcyclohexyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 6-methyl-7-[(4-methylcyclohexyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is Cc1cn2c(C3CCOCC3)ncc2c(=O)n1CC1CCC(C)CC1.
What is the InChIKey of 6-methyl-7-[(4-methylcyclohexyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is OUZGHMLKYZAFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-3-5-16(6-4-14)13-22-15(2)12-23-18(20(22)24)11-21-19(23)17-7-9-25-10-8-17/h11-12,14,16-17H,3-10,13H2,1-2H3.
What are the key properties of 6-methyl-7-[(4-methylcyclohexyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
6-methyl-7-[(4-methylcyclohexyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 343.47 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[(4-methylcyclohexyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).