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

C20H20N4O — CID 139558418

IUPAC3-cyclopropyl-1-isoquinolin-7-yl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3ccc4ccncc4c3)nc(C3CC3)n21
InChIInChI=1S/C20H20N4O/c1-12-20(25)23(2)11-17-18(22-19(24(12)17)14-4-5-14)15-6-3-13-7-8-21-10-16(13)9-15/h3,6-10,12,14H,4-5,11H2,1-2H3
InChIKeyOWFPFZSZLTYEGJ-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.51
Rot. Bonds2

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

3-cyclopropyl-1-isoquinolin-7-yl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558418) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-cyclopropyl-1-isoquinolin-7-yl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name3-cyclopropyl-1-isoquinolin-7-yl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558418
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name3-cyclopropyl-1-isoquinolin-7-yl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3ccc4ccncc4c3)nc(C3CC3)n21
InChIInChI=1S/C20H20N4O/c1-12-20(25)23(2)11-17-18(22-19(24(12)17)14-4-5-14)15-6-3-13-7-8-21-10-16(13)9-15/h3,6-10,12,14H,4-5,11H2,1-2H3
InChIKeyOWFPFZSZLTYEGJ-UHFFFAOYSA-N
XLogP3.51
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-isoquinolin-7-yl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 3-cyclopropyl-1-isoquinolin-7-yl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558418) is 3-cyclopropyl-1-isoquinolin-7-yl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 3-cyclopropyl-1-isoquinolin-7-yl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 3-cyclopropyl-1-isoquinolin-7-yl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CC1C(=O)N(C)Cc2c(-c3ccc4ccncc4c3)nc(C3CC3)n21.
What is the InChIKey of 3-cyclopropyl-1-isoquinolin-7-yl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is OWFPFZSZLTYEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-12-20(25)23(2)11-17-18(22-19(24(12)17)14-4-5-14)15-6-3-13-7-8-21-10-16(13)9-15/h3,6-10,12,14H,4-5,11H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-isoquinolin-7-yl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
3-cyclopropyl-1-isoquinolin-7-yl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 332.41 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-isoquinolin-7-yl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).