7-[(2-chlorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

C19H20ClN3O2 — CID 122652210

IUPAC7-[(2-chlorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1ccccc1Cl
InChIInChI=1S/C19H20ClN3O2/c1-13-11-23-17(10-21-18(23)14-6-8-25-9-7-14)19(24)22(13)12-15-4-2-3-5-16(15)20/h2-5,10-11,14H,6-9,12H2,1H3
InChIKeyRNBCFPQVHXWYQR-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.40
Rot. Bonds3

About 7-[(2-chlorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

7-[(2-chlorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652210) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 7-[(2-chlorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[(2-chlorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652210
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name7-[(2-chlorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1ccccc1Cl
InChIInChI=1S/C19H20ClN3O2/c1-13-11-23-17(10-21-18(23)14-6-8-25-9-7-14)19(24)22(13)12-15-4-2-3-5-16(15)20/h2-5,10-11,14H,6-9,12H2,1H3
InChIKeyRNBCFPQVHXWYQR-UHFFFAOYSA-N
XLogP3.40
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-chlorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-[(2-chlorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652210) is 7-[(2-chlorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-[(2-chlorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-[(2-chlorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is Cc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1ccccc1Cl.
What is the InChIKey of 7-[(2-chlorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is RNBCFPQVHXWYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-13-11-23-17(10-21-18(23)14-6-8-25-9-7-14)19(24)22(13)12-15-4-2-3-5-16(15)20/h2-5,10-11,14H,6-9,12H2,1H3.
What are the key properties of 7-[(2-chlorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
7-[(2-chlorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 357.84 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chlorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).