3-[8-amino-6-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol

C24H20FN5OS — CID 69304418

IUPAC3-[8-amino-6-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
SMILESCc1cc(-c2cccs2)nc2c(F)c(-c3cn4c(C5CC(O)C5)ncc4c(N)n3)ccc12
InChIInChI=1S/C24H20FN5OS/c1-12-7-17(20-3-2-6-32-20)28-22-15(12)4-5-16(21(22)25)18-11-30-19(23(26)29-18)10-27-24(30)13-8-14(31)9-13/h2-7,10-11,13-14,31H,8-9H2,1H3,(H2,26,29)
InChIKeyAYSULTCJZFQOAQ-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.94
Rot. Bonds3

About 3-[8-amino-6-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol

3-[8-amino-6-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol (PubChem CID 69304418) has the molecular formula C24H20FN5OS and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-[8-amino-6-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-6-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
PubChem CID69304418
Molecular FormulaC24H20FN5OS
Molecular Weight445.52 g/mol
Exact Mass445.14
IUPAC Name3-[8-amino-6-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
SMILESCc1cc(-c2cccs2)nc2c(F)c(-c3cn4c(C5CC(O)C5)ncc4c(N)n3)ccc12
InChIInChI=1S/C24H20FN5OS/c1-12-7-17(20-3-2-6-32-20)28-22-15(12)4-5-16(21(22)25)18-11-30-19(23(26)29-18)10-27-24(30)13-8-14(31)9-13/h2-7,10-11,13-14,31H,8-9H2,1H3,(H2,26,29)
InChIKeyAYSULTCJZFQOAQ-UHFFFAOYSA-N
XLogP4.94
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-6-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The IUPAC name of 3-[8-amino-6-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol (CID 69304418) is 3-[8-amino-6-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[8-amino-6-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-6-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol is Cc1cc(-c2cccs2)nc2c(F)c(-c3cn4c(C5CC(O)C5)ncc4c(N)n3)ccc12.
What is the InChIKey of 3-[8-amino-6-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The InChIKey is AYSULTCJZFQOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5OS/c1-12-7-17(20-3-2-6-32-20)28-22-15(12)4-5-16(21(22)25)18-11-30-19(23(26)29-18)10-27-24(30)13-8-14(31)9-13/h2-7,10-11,13-14,31H,8-9H2,1H3,(H2,26,29).
What are the key properties of 3-[8-amino-6-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
3-[8-amino-6-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol has a molecular weight of 445.52 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-6-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol is sourced from PubChem (CID 69304418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).