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

C20H24N4O3 — CID 122652220

IUPAC7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCOc1ccc(Cn2c(C)cn3c(N4CCCOCC4)ncc3c2=O)cc1
InChIInChI=1S/C20H24N4O3/c1-15-13-24-18(12-21-20(24)22-8-3-10-27-11-9-22)19(25)23(15)14-16-4-6-17(26-2)7-5-16/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyVCAGHSXTTDHBAV-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.09
Rot. Bonds4

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

7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652220) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652220
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCOc1ccc(Cn2c(C)cn3c(N4CCCOCC4)ncc3c2=O)cc1
InChIInChI=1S/C20H24N4O3/c1-15-13-24-18(12-21-20(24)22-8-3-10-27-11-9-22)19(25)23(15)14-16-4-6-17(26-2)7-5-16/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyVCAGHSXTTDHBAV-UHFFFAOYSA-N
XLogP2.09
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652220) is 7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one is COc1ccc(Cn2c(C)cn3c(N4CCCOCC4)ncc3c2=O)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is VCAGHSXTTDHBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15-13-24-18(12-21-20(24)22-8-3-10-27-11-9-22)19(25)23(15)14-16-4-6-17(26-2)7-5-16/h4-7,12-13H,3,8-11,14H2,1-2H3.
What are the key properties of 7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one?
7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 368.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).