1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine

C22H18FN5OS — CID 143480437

IUPAC1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine
SMILESCS(=O)c1nc(-c2ccc3ccc(-c4ccccc4)nc3c2F)c2n1CCN=C2N
InChIInChI=1S/C22H18FN5OS/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/h2-10H,11-12H2,1H3,(H2,24,25)
InChIKeyUAGVYGSGVXHFNR-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.36
Rot. Bonds3

About 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine

1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine (PubChem CID 143480437) has the molecular formula C22H18FN5OS and a molecular weight of 419.49 g/mol. Its IUPAC name is 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine
PubChem CID143480437
Molecular FormulaC22H18FN5OS
Molecular Weight419.49 g/mol
Exact Mass419.12
IUPAC Name1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine
SMILESCS(=O)c1nc(-c2ccc3ccc(-c4ccccc4)nc3c2F)c2n1CCN=C2N
InChIInChI=1S/C22H18FN5OS/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/h2-10H,11-12H2,1H3,(H2,24,25)
InChIKeyUAGVYGSGVXHFNR-UHFFFAOYSA-N
XLogP3.36
TPSA86.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine (CID 143480437) is 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine is CS(=O)c1nc(-c2ccc3ccc(-c4ccccc4)nc3c2F)c2n1CCN=C2N.
What is the InChIKey of 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is UAGVYGSGVXHFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5OS/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/h2-10H,11-12H2,1H3,(H2,24,25).
What are the key properties of 1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine?
1-(8-fluoro-2-phenylquinolin-7-yl)-3-methylsulfinyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 419.49 g/mol, XLogP of 3.36, 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-methylsulfinyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 143480437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).