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

C23H25N5O2 — CID 134458594

IUPAC7-methyl-6-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCn1cnc(-c2ccc(Cc3cn4c(C5CCOCC5)ncc4c(=O)n3C)cc2)c1
InChIInChI=1S/C23H25N5O2/c1-26-14-20(25-15-26)17-5-3-16(4-6-17)11-19-13-28-21(23(29)27(19)2)12-24-22(28)18-7-9-30-10-8-18/h3-6,12-15,18H,7-11H2,1-2H3
InChIKeyMCCKASGKLXDYAZ-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.92
Rot. Bonds4

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

7-methyl-6-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 134458594) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 7-methyl-6-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-methyl-6-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID134458594
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name7-methyl-6-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCn1cnc(-c2ccc(Cc3cn4c(C5CCOCC5)ncc4c(=O)n3C)cc2)c1
InChIInChI=1S/C23H25N5O2/c1-26-14-20(25-15-26)17-5-3-16(4-6-17)11-19-13-28-21(23(29)27(19)2)12-24-22(28)18-7-9-30-10-8-18/h3-6,12-15,18H,7-11H2,1-2H3
InChIKeyMCCKASGKLXDYAZ-UHFFFAOYSA-N
XLogP2.92
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-2-[2-(4-methylphenyl)ethyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 134252107
6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
CID 134468776
7-(cyclopentylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
CID 122652331
[3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143209
[4-(1-methylimidazol-4-yl)phenyl]methanol
CID 142503697
3-[(4-methoxyphenyl)methyl]-2-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 122637774
8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine
CID 117146255
2-[4-(ethoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 122540557
6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine
CID 172745522
2-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 122540596
4-methyl-12-(oxan-4-yl)-6-oxa-1,5,11,13-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-3(7),4,9,12,14-pentaen-16-one
CID 153159473
3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one
CID 122652231

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-methyl-6-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 134458594) is 7-methyl-6-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-methyl-6-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-methyl-6-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is Cn1cnc(-c2ccc(Cc3cn4c(C5CCOCC5)ncc4c(=O)n3C)cc2)c1.
What is the InChIKey of 7-methyl-6-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is MCCKASGKLXDYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-26-14-20(25-15-26)17-5-3-16(4-6-17)11-19-13-28-21(23(29)27(19)2)12-24-22(28)18-7-9-30-10-8-18/h3-6,12-15,18H,7-11H2,1-2H3.
What are the key properties of 7-methyl-6-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
7-methyl-6-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 403.49 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 134458594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).