(5R)-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C26H27N5O2S — CID 139570819

IUPAC(5R)-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1ncc(-c2cc3cccc(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)[C@H]5C)c3cn2)s1
InChIInChI=1S/C26H27N5O2S/c1-15-26(32)30(3)14-22-24(29-25(31(15)22)17-7-9-33-10-8-17)19-6-4-5-18-11-21(28-12-20(18)19)23-13-27-16(2)34-23/h4-6,11-13,15,17H,7-10,14H2,1-3H3/t15-/m1/s1
InChIKeyUOGTVNXJONPDSD-OAHLLOKOSA-N
MW473.60 g/mol
LogP4.96
Rot. Bonds3

About (5R)-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

(5R)-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139570819) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is (5R)-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-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-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139570819
Molecular FormulaC26H27N5O2S
Molecular Weight473.60 g/mol
Exact Mass473.19
IUPAC Name(5R)-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1ncc(-c2cc3cccc(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)[C@H]5C)c3cn2)s1
InChIInChI=1S/C26H27N5O2S/c1-15-26(32)30(3)14-22-24(29-25(31(15)22)17-7-9-33-10-8-17)19-6-4-5-18-11-21(28-12-20(18)19)23-13-27-16(2)34-23/h4-6,11-13,15,17H,7-10,14H2,1-3H3/t15-/m1/s1
InChIKeyUOGTVNXJONPDSD-OAHLLOKOSA-N
XLogP4.96
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5R)-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-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-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139570819) is (5R)-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-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-(2-methyl-1,3-thiazol-5-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-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is Cc1ncc(-c2cc3cccc(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)[C@H]5C)c3cn2)s1.
What is the InChIKey of (5R)-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is UOGTVNXJONPDSD-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-15-26(32)30(3)14-22-24(29-25(31(15)22)17-7-9-33-10-8-17)19-6-4-5-18-11-21(28-12-20(18)19)23-13-27-16(2)34-23/h4-6,11-13,15,17H,7-10,14H2,1-3H3/t15-/m1/s1.
What are the key properties of (5R)-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
(5R)-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 473.60 g/mol, XLogP of 4.96, 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-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139570819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).