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

C26H28N6O2 — CID 139558324

IUPAC5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21
InChIInChI=1S/C26H28N6O2/c1-16-26(33)30(2)15-23-24(28-25(32(16)23)17-8-11-34-12-9-17)19-6-4-5-18-13-22(27-14-20(18)19)21-7-10-31(3)29-21/h4-7,10,13-14,16-17H,8-9,11-12,15H2,1-3H3
InChIKeyFQVGCUZGXCCGOC-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.93
Rot. Bonds3

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

5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558324) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558324
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21
InChIInChI=1S/C26H28N6O2/c1-16-26(33)30(2)15-23-24(28-25(32(16)23)17-8-11-34-12-9-17)19-6-4-5-18-13-22(27-14-20(18)19)21-7-10-31(3)29-21/h4-7,10,13-14,16-17H,8-9,11-12,15H2,1-3H3
InChIKeyFQVGCUZGXCCGOC-UHFFFAOYSA-N
XLogP3.93
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558324) is 5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CC1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21.
What is the InChIKey of 5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is FQVGCUZGXCCGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-16-26(33)30(2)15-23-24(28-25(32(16)23)17-8-11-34-12-9-17)19-6-4-5-18-13-22(27-14-20(18)19)21-7-10-31(3)29-21/h4-7,10,13-14,16-17H,8-9,11-12,15H2,1-3H3.
What are the key properties of 5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 456.55 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).