3-cyclopropyl-N-methyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C24H24N6OS — CID 139530412

IUPAC3-cyclopropyl-N-methyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(-c5cnc(C)s5)ncc34)c2C1
InChIInChI=1S/C24H24N6OS/c1-14-26-12-21(32-14)19-10-16-4-3-5-17(18(16)11-27-19)22-20-13-29(24(31)25-2)8-9-30(20)23(28-22)15-6-7-15/h3-5,10-12,15H,6-9,13H2,1-2H3,(H,25,31)
InChIKeyGDTKVWDPFAIKAW-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.56
Rot. Bonds3

About 3-cyclopropyl-N-methyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

3-cyclopropyl-N-methyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530412) has the molecular formula C24H24N6OS and a molecular weight of 444.56 g/mol. Its IUPAC name is 3-cyclopropyl-N-methyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-methyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530412
Molecular FormulaC24H24N6OS
Molecular Weight444.56 g/mol
Exact Mass444.17
IUPAC Name3-cyclopropyl-N-methyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(-c5cnc(C)s5)ncc34)c2C1
InChIInChI=1S/C24H24N6OS/c1-14-26-12-21(32-14)19-10-16-4-3-5-17(18(16)11-27-19)22-20-13-29(24(31)25-2)8-9-30(20)23(28-22)15-6-7-15/h3-5,10-12,15H,6-9,13H2,1-2H3,(H,25,31)
InChIKeyGDTKVWDPFAIKAW-UHFFFAOYSA-N
XLogP4.56
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-N-methyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide 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 3-cyclopropyl-N-methyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 3-cyclopropyl-N-methyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530412) is 3-cyclopropyl-N-methyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-methyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-methyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(-c5cnc(C)s5)ncc34)c2C1.
What is the InChIKey of 3-cyclopropyl-N-methyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is GDTKVWDPFAIKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6OS/c1-14-26-12-21(32-14)19-10-16-4-3-5-17(18(16)11-27-19)22-20-13-29(24(31)25-2)8-9-30(20)23(28-22)15-6-7-15/h3-5,10-12,15H,6-9,13H2,1-2H3,(H,25,31).
What are the key properties of 3-cyclopropyl-N-methyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-cyclopropyl-N-methyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-methyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).