5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine

C20H19FN4OS — CID 137395622

IUPAC5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)N3CCCC3)cc2F)cn1
InChIInChI=1S/C20H19FN4OS/c21-17-11-14(7-8-16(17)18-12-24-20(22)13-23-18)15-5-1-2-6-19(15)27(26)25-9-3-4-10-25/h1-2,5-8,11-13H,3-4,9-10H2,(H2,22,24)
InChIKeyVJLYTZZDBWSFEE-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.65
Rot. Bonds4

About 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine

5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine (PubChem CID 137395622) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine
PubChem CID137395622
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC Name5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)N3CCCC3)cc2F)cn1
InChIInChI=1S/C20H19FN4OS/c21-17-11-14(7-8-16(17)18-12-24-20(22)13-23-18)15-5-1-2-6-19(15)27(26)25-9-3-4-10-25/h1-2,5-8,11-13H,3-4,9-10H2,(H2,22,24)
InChIKeyVJLYTZZDBWSFEE-UHFFFAOYSA-N
XLogP3.65
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-fluoro-4-(2-thiomorpholin-4-ylsulfinylphenyl)phenyl]pyrazin-2-amine
CID 137395844
N-(2-aminoethyl)-2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfinamide
CID 138711929
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfinamide
CID 137395613
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide
CID 138711674
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfinamide
CID 137395950
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfinamide
CID 144679063
5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine
CID 137396074
N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide
CID 90313395
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonyl-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 90312190
(3S)-1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonyl-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 137395964
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol
CID 90314151
[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone
CID 138712237

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine (CID 137395622) is 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(-c3ccccc3S(=O)N3CCCC3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine?
The InChIKey is VJLYTZZDBWSFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS/c21-17-11-14(7-8-16(17)18-12-24-20(22)13-23-18)15-5-1-2-6-19(15)27(26)25-9-3-4-10-25/h1-2,5-8,11-13H,3-4,9-10H2,(H2,22,24).
What are the key properties of 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine?
5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine has a molecular weight of 382.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 137395622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).