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

C26H30N4O3 — CID 139558249

IUPAC7-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2c(-c3cccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n2CC1=O
InChIInChI=1S/C26H30N4O3/c1-29-15-23-25(28-26(30(23)16-24(29)31)18-7-11-33-12-8-18)20-4-2-3-19-13-22(27-14-21(19)20)17-5-9-32-10-6-17/h2-4,13-14,17-18H,5-12,15-16H2,1H3
InChIKeyGHYQPFVMHNTWIO-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.86
Rot. Bonds3

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

7-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558249) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 7-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name7-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558249
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name7-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2c(-c3cccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n2CC1=O
InChIInChI=1S/C26H30N4O3/c1-29-15-23-25(28-26(30(23)16-24(29)31)18-7-11-33-12-8-18)20-4-2-3-19-13-22(27-14-21(19)20)17-5-9-32-10-6-17/h2-4,13-14,17-18H,5-12,15-16H2,1H3
InChIKeyGHYQPFVMHNTWIO-UHFFFAOYSA-N
XLogP3.86
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 7-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558249) is 7-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 7-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 7-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CN1Cc2c(-c3cccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n2CC1=O.
What is the InChIKey of 7-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is GHYQPFVMHNTWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-29-15-23-25(28-26(30(23)16-24(29)31)18-7-11-33-12-8-18)20-4-2-3-19-13-22(27-14-21(19)20)17-5-9-32-10-6-17/h2-4,13-14,17-18H,5-12,15-16H2,1H3.
What are the key properties of 7-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
7-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 446.55 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).