3-cyclobutyl-1-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C23H18FN5S — CID 66676134

IUPAC3-cyclobutyl-1-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc4ccc(-c5cccs5)nc4c3F)c12
InChIInChI=1S/C23H18FN5S/c24-18-15(8-6-13-7-9-16(27-19(13)18)17-5-2-12-30-17)20-21-22(25)26-10-11-29(21)23(28-20)14-3-1-4-14/h2,5-12,14H,1,3-4H2,(H2,25,26)
InChIKeyGJKLYXYDODHWRE-UHFFFAOYSA-N
MW415.50 g/mol
LogP5.66
Rot. Bonds3

About 3-cyclobutyl-1-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

3-cyclobutyl-1-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 66676134) has the molecular formula C23H18FN5S and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-cyclobutyl-1-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID66676134
Molecular FormulaC23H18FN5S
Molecular Weight415.50 g/mol
Exact Mass415.13
IUPAC Name3-cyclobutyl-1-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc4ccc(-c5cccs5)nc4c3F)c12
InChIInChI=1S/C23H18FN5S/c24-18-15(8-6-13-7-9-16(27-19(13)18)17-5-2-12-30-17)20-21-22(25)26-10-11-29(21)23(28-20)14-3-1-4-14/h2,5-12,14H,1,3-4H2,(H2,25,26)
InChIKeyGJKLYXYDODHWRE-UHFFFAOYSA-N
XLogP5.66
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-1-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 66676134) is 3-cyclobutyl-1-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-1-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-1-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(-c3ccc4ccc(-c5cccs5)nc4c3F)c12.
What is the InChIKey of 3-cyclobutyl-1-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is GJKLYXYDODHWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5S/c24-18-15(8-6-13-7-9-16(27-19(13)18)17-5-2-12-30-17)20-21-22(25)26-10-11-29(21)23(28-20)14-3-1-4-14/h2,5-12,14H,1,3-4H2,(H2,25,26).
What are the key properties of 3-cyclobutyl-1-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-1-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 415.50 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 66676134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).