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

C24H23N5OS — CID 139558281

IUPAC3-cyclopropyl-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1ncc(-c2cc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)C5C)c3cn2)s1
InChIInChI=1S/C24H23N5OS/c1-13-24(30)28(3)12-20-22(27-23(29(13)20)15-7-8-15)17-6-4-5-16-9-19(26-10-18(16)17)21-11-25-14(2)31-21/h4-6,9-11,13,15H,7-8,12H2,1-3H3
InChIKeyHSOYPKXYVCVZOK-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.94
Rot. Bonds3

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

3-cyclopropyl-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558281) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is 3-cyclopropyl-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name3-cyclopropyl-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558281
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name3-cyclopropyl-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1ncc(-c2cc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)C5C)c3cn2)s1
InChIInChI=1S/C24H23N5OS/c1-13-24(30)28(3)12-20-22(27-23(29(13)20)15-7-8-15)17-6-4-5-16-9-19(26-10-18(16)17)21-11-25-14(2)31-21/h4-6,9-11,13,15H,7-8,12H2,1-3H3
InChIKeyHSOYPKXYVCVZOK-UHFFFAOYSA-N
XLogP4.94
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-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 3-cyclopropyl-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 3-cyclopropyl-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558281) is 3-cyclopropyl-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 3-cyclopropyl-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 3-cyclopropyl-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is Cc1ncc(-c2cc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)C5C)c3cn2)s1.
What is the InChIKey of 3-cyclopropyl-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is HSOYPKXYVCVZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c1-13-24(30)28(3)12-20-22(27-23(29(13)20)15-7-8-15)17-6-4-5-16-9-19(26-10-18(16)17)21-11-25-14(2)31-21/h4-6,9-11,13,15H,7-8,12H2,1-3H3.
What are the key properties of 3-cyclopropyl-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
3-cyclopropyl-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 429.55 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).