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

C24H23FN6OS — CID 139530390

IUPAC3-cyclopropyl-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3c(F)ccc4cc(-c5cnc(C)s5)ncc34)c2C1
InChIInChI=1S/C24H23FN6OS/c1-13-27-11-20(33-13)18-9-15-5-6-17(25)21(16(15)10-28-18)22-19-12-30(24(32)26-2)7-8-31(19)23(29-22)14-3-4-14/h5-6,9-11,14H,3-4,7-8,12H2,1-2H3,(H,26,32)
InChIKeyAGLKJPHKKCPZAO-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.70
Rot. Bonds3

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

3-cyclopropyl-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530390) has the molecular formula C24H23FN6OS and a molecular weight of 462.55 g/mol. Its IUPAC name is 3-cyclopropyl-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530390
Molecular FormulaC24H23FN6OS
Molecular Weight462.55 g/mol
Exact Mass462.16
IUPAC Name3-cyclopropyl-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3c(F)ccc4cc(-c5cnc(C)s5)ncc34)c2C1
InChIInChI=1S/C24H23FN6OS/c1-13-27-11-20(33-13)18-9-15-5-6-17(25)21(16(15)10-28-18)22-19-12-30(24(32)26-2)7-8-31(19)23(29-22)14-3-4-14/h5-6,9-11,14H,3-4,7-8,12H2,1-2H3,(H,26,32)
InChIKeyAGLKJPHKKCPZAO-UHFFFAOYSA-N
XLogP4.70
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 3-cyclopropyl-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530390) is 3-cyclopropyl-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CC3)nc(-c3c(F)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.
What is the InChIKey of 3-cyclopropyl-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is AGLKJPHKKCPZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6OS/c1-13-27-11-20(33-13)18-9-15-5-6-17(25)21(16(15)10-28-18)22-19-12-30(24(32)26-2)7-8-31(19)23(29-22)14-3-4-14/h5-6,9-11,14H,3-4,7-8,12H2,1-2H3,(H,26,32).
What are the key properties of 3-cyclopropyl-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-cyclopropyl-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).