1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinylimidazo[1,5-a]pyrazin-8-amine

C22H16FN5OS — CID 16753772

IUPAC1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinylimidazo[1,5-a]pyrazin-8-amine
SMILESCS(=O)c1nc(-c2ccc3ccc(-c4ccccc4)nc3c2F)c2c(N)nccn12
InChIInChI=1S/C22H16FN5OS/c1-30(29)22-27-19(20-21(24)25-11-12-28(20)22)15-9-7-14-8-10-16(26-18(14)17(15)23)13-5-3-2-4-6-13/h2-12H,1H3,(H2,24,25)
InChIKeyVWWCXWQPGUQWAJ-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.07
Rot. Bonds3

About 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinylimidazo[1,5-a]pyrazin-8-amine

1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 16753772) has the molecular formula C22H16FN5OS and a molecular weight of 417.47 g/mol. Its IUPAC name is 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinylimidazo[1,5-a]pyrazin-8-amine
PubChem CID16753772
Molecular FormulaC22H16FN5OS
Molecular Weight417.47 g/mol
Exact Mass417.11
IUPAC Name1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinylimidazo[1,5-a]pyrazin-8-amine
SMILESCS(=O)c1nc(-c2ccc3ccc(-c4ccccc4)nc3c2F)c2c(N)nccn12
InChIInChI=1S/C22H16FN5OS/c1-30(29)22-27-19(20-21(24)25-11-12-28(20)22)15-9-7-14-8-10-16(26-18(14)17(15)23)13-5-3-2-4-6-13/h2-12H,1H3,(H2,24,25)
InChIKeyVWWCXWQPGUQWAJ-UHFFFAOYSA-N
XLogP4.07
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-bromophenyl)sulfanyl-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16753679
ethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 143120632
1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine
CID 143480437
3-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;1-[4-[3-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;1-[4-[3-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone
CID 158563657
3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143495204
4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidine-1-sulfinic acid
CID 71179512
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(trideuteriomethyl)cyclobutan-1-ol
CID 52915009
1-naphthalen-2-yl-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
CID 53345681
1-(8-amino-1-pyridin-2-ylimidazo[1,5-a]pyrazin-3-yl)ethanone
CID 71291104
3-tert-butyl-1-pyridin-3-ylimidazo[1,5-a]pyrazin-8-amine
CID 126822618
3-(cyclohexen-1-yl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143495210
2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 171732044

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinylimidazo[1,5-a]pyrazin-8-amine (CID 16753772) is 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinylimidazo[1,5-a]pyrazin-8-amine is CS(=O)c1nc(-c2ccc3ccc(-c4ccccc4)nc3c2F)c2c(N)nccn12.
What is the InChIKey of 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is VWWCXWQPGUQWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5OS/c1-30(29)22-27-19(20-21(24)25-11-12-28(20)22)15-9-7-14-8-10-16(26-18(14)17(15)23)13-5-3-2-4-6-13/h2-12H,1H3,(H2,24,25).
What are the key properties of 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinylimidazo[1,5-a]pyrazin-8-amine?
1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 417.47 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 16753772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).