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

C25H24FN5O2S — CID 139570833

IUPAC1-[6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1ncc(-c2ccc3c(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)C5)c(F)ccc3n2)s1
InChIInChI=1S/C25H24FN5O2S/c1-14-27-11-21(34-14)19-5-3-16-18(28-19)6-4-17(26)23(16)24-20-12-30(2)22(32)13-31(20)25(29-24)15-7-9-33-10-8-15/h3-6,11,15H,7-10,12-13H2,1-2H3
InChIKeyKGSXJMNCNVAOOU-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.54
Rot. Bonds3

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

1-[6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139570833) has the molecular formula C25H24FN5O2S and a molecular weight of 477.57 g/mol. Its IUPAC name is 1-[6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name1-[6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139570833
Molecular FormulaC25H24FN5O2S
Molecular Weight477.57 g/mol
Exact Mass477.16
IUPAC Name1-[6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1ncc(-c2ccc3c(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)C5)c(F)ccc3n2)s1
InChIInChI=1S/C25H24FN5O2S/c1-14-27-11-21(34-14)19-5-3-16-18(28-19)6-4-17(26)23(16)24-20-12-30(2)22(32)13-31(20)25(29-24)15-7-9-33-10-8-15/h3-6,11,15H,7-10,12-13H2,1-2H3
InChIKeyKGSXJMNCNVAOOU-UHFFFAOYSA-N
XLogP4.54
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-7-methyl-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 1-[6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 1-[6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139570833) is 1-[6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 1-[6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 1-[6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is Cc1ncc(-c2ccc3c(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)C5)c(F)ccc3n2)s1.
What is the InChIKey of 1-[6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is KGSXJMNCNVAOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2S/c1-14-27-11-21(34-14)19-5-3-16-18(28-19)6-4-17(26)23(16)24-20-12-30(2)22(32)13-31(20)25(29-24)15-7-9-33-10-8-15/h3-6,11,15H,7-10,12-13H2,1-2H3.
What are the key properties of 1-[6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
1-[6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 477.57 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139570833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).