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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Related Compounds

4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one
CID 152510710
4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine
CID 141410963
3-[(4-methoxyphenyl)methyl]-2-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 122637774
8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
CID 146301230
3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-morpholin-4-ylpurine-2,6-dione
CID 16805193
5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxetan-3-yl)pyrazolo[4,5-c]pyridin-4-one
CID 131984798
6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 16615712
1-[(4-methoxyphenyl)methyl]-3,7-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CID 3816623
3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879749
1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione
CID 25105963
4-(6-amino-3-pyridinyl)-7-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 175060460
4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine
CID 162348657

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).