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

C25H28N4O2 — CID 139558360

IUPAC3-cyclopropyl-5,7-dimethyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3cccc4cc(C5CCOCC5)ncc34)nc(C3CC3)n21
InChIInChI=1S/C25H28N4O2/c1-15-25(30)28(2)14-22-23(27-24(29(15)22)17-6-7-17)19-5-3-4-18-12-21(26-13-20(18)19)16-8-10-31-11-9-16/h3-5,12-13,15-17H,6-11,14H2,1-2H3
InChIKeyRZNVPBJTIYRMSE-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.40
Rot. Bonds3

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

3-cyclopropyl-5,7-dimethyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558360) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 3-cyclopropyl-5,7-dimethyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name3-cyclopropyl-5,7-dimethyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558360
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name3-cyclopropyl-5,7-dimethyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3cccc4cc(C5CCOCC5)ncc34)nc(C3CC3)n21
InChIInChI=1S/C25H28N4O2/c1-15-25(30)28(2)14-22-23(27-24(29(15)22)17-6-7-17)19-5-3-4-18-12-21(26-13-20(18)19)16-8-10-31-11-9-16/h3-5,12-13,15-17H,6-11,14H2,1-2H3
InChIKeyRZNVPBJTIYRMSE-UHFFFAOYSA-N
XLogP4.40
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5,7-dimethyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 3-cyclopropyl-5,7-dimethyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558360) is 3-cyclopropyl-5,7-dimethyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 3-cyclopropyl-5,7-dimethyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 3-cyclopropyl-5,7-dimethyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CC1C(=O)N(C)Cc2c(-c3cccc4cc(C5CCOCC5)ncc34)nc(C3CC3)n21.
What is the InChIKey of 3-cyclopropyl-5,7-dimethyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is RZNVPBJTIYRMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-15-25(30)28(2)14-22-23(27-24(29(15)22)17-6-7-17)19-5-3-4-18-12-21(26-13-20(18)19)16-8-10-31-11-9-16/h3-5,12-13,15-17H,6-11,14H2,1-2H3.
What are the key properties of 3-cyclopropyl-5,7-dimethyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
3-cyclopropyl-5,7-dimethyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 416.53 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5,7-dimethyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).