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

C26H28N6O2 — CID 139570818

IUPAC(5R)-5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1cn(-c2cc3cccc(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)[C@H]5C)c3cn2)cn1
InChIInChI=1S/C26H28N6O2/c1-16-13-31(15-28-16)23-11-19-5-4-6-20(21(19)12-27-23)24-22-14-30(3)26(33)17(2)32(22)25(29-24)18-7-9-34-10-8-18/h4-6,11-13,15,17-18H,7-10,14H2,1-3H3/t17-/m1/s1
InChIKeyXUGFYFHLYOPQJS-QGZVFWFLSA-N
MW456.55 g/mol
LogP4.02
Rot. Bonds3

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

(5R)-5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139570818) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is (5R)-5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name(5R)-5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139570818
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name(5R)-5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1cn(-c2cc3cccc(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)[C@H]5C)c3cn2)cn1
InChIInChI=1S/C26H28N6O2/c1-16-13-31(15-28-16)23-11-19-5-4-6-20(21(19)12-27-23)24-22-14-30(3)26(33)17(2)32(22)25(29-24)18-7-9-34-10-8-18/h4-6,11-13,15,17-18H,7-10,14H2,1-3H3/t17-/m1/s1
InChIKeyXUGFYFHLYOPQJS-QGZVFWFLSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5R)-5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of (5R)-5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139570818) is (5R)-5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for (5R)-5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for (5R)-5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is Cc1cn(-c2cc3cccc(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)[C@H]5C)c3cn2)cn1.
What is the InChIKey of (5R)-5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is XUGFYFHLYOPQJS-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-16-13-31(15-28-16)23-11-19-5-4-6-20(21(19)12-27-23)24-22-14-30(3)26(33)17(2)32(22)25(29-24)18-7-9-34-10-8-18/h4-6,11-13,15,17-18H,7-10,14H2,1-3H3/t17-/m1/s1.
What are the key properties of (5R)-5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
(5R)-5,7-dimethyl-1-[3-(4-methylimidazol-1-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 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139570818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).