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

C27H29N5O2S — CID 139570884

IUPAC5,7-dimethyl-1-[7-methyl-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(-c2cc3ccc(C)c(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)C5C)c3cn2)s1
InChIInChI=1S/C27H29N5O2S/c1-15-5-6-19-11-21(23-13-28-17(3)35-23)29-12-20(19)24(15)25-22-14-31(4)27(33)16(2)32(22)26(30-25)18-7-9-34-10-8-18/h5-6,11-13,16,18H,7-10,14H2,1-4H3
InChIKeyYSWVEIBNYOCTMD-UHFFFAOYSA-N
MW487.63 g/mol
LogP5.27
Rot. Bonds3

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

5,7-dimethyl-1-[7-methyl-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 139570884) has the molecular formula C27H29N5O2S and a molecular weight of 487.63 g/mol. Its IUPAC name is 5,7-dimethyl-1-[7-methyl-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 Name5,7-dimethyl-1-[7-methyl-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 CID139570884
Molecular FormulaC27H29N5O2S
Molecular Weight487.63 g/mol
Exact Mass487.20
IUPAC Name5,7-dimethyl-1-[7-methyl-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(-c2cc3ccc(C)c(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)C5C)c3cn2)s1
InChIInChI=1S/C27H29N5O2S/c1-15-5-6-19-11-21(23-13-28-17(3)35-23)29-12-20(19)24(15)25-22-14-31(4)27(33)16(2)32(22)26(30-25)18-7-9-34-10-8-18/h5-6,11-13,16,18H,7-10,14H2,1-4H3
InChIKeyYSWVEIBNYOCTMD-UHFFFAOYSA-N
XLogP5.27
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.63
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,7-dimethyl-1-[7-methyl-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 5,7-dimethyl-1-[7-methyl-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 5,7-dimethyl-1-[7-methyl-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 139570884) is 5,7-dimethyl-1-[7-methyl-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 5,7-dimethyl-1-[7-methyl-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 5,7-dimethyl-1-[7-methyl-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(-c2cc3ccc(C)c(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)C5C)c3cn2)s1.
What is the InChIKey of 5,7-dimethyl-1-[7-methyl-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 YSWVEIBNYOCTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2S/c1-15-5-6-19-11-21(23-13-28-17(3)35-23)29-12-20(19)24(15)25-22-14-31(4)27(33)16(2)32(22)26(30-25)18-7-9-34-10-8-18/h5-6,11-13,16,18H,7-10,14H2,1-4H3.
What are the key properties of 5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
5,7-dimethyl-1-[7-methyl-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 487.63 g/mol, XLogP of 5.27, 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-[7-methyl-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 139570884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).