5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride

C20H20ClFN4O3S — CID 90315188

IUPAC5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride
SMILESCl.Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCOCC3)cc2F)cn1
InChIInChI=1S/C20H19FN4O3S.ClH/c21-17-10-13(3-4-16(17)18-11-25-19(22)12-24-18)15-2-1-7-23-20(15)29(26,27)14-5-8-28-9-6-14;/h1-4,7,10-12,14H,5-6,8-9H2,(H2,22,25);1H
InChIKeyJZCQGBZAYBBURL-UHFFFAOYSA-N
MW450.92 g/mol
LogP3.30
Rot. Bonds4

About 5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride

5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride (PubChem CID 90315188) has the molecular formula C20H20ClFN4O3S and a molecular weight of 450.92 g/mol. Its IUPAC name is 5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride
PubChem CID90315188
Molecular FormulaC20H20ClFN4O3S
Molecular Weight450.92 g/mol
Exact Mass450.09
IUPAC Name5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride
SMILESCl.Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCOCC3)cc2F)cn1
InChIInChI=1S/C20H19FN4O3S.ClH/c21-17-10-13(3-4-16(17)18-11-25-19(22)12-24-18)15-2-1-7-23-20(15)29(26,27)14-5-8-28-9-6-14;/h1-4,7,10-12,14H,5-6,8-9H2,(H2,22,25);1H
InChIKeyJZCQGBZAYBBURL-UHFFFAOYSA-N
XLogP3.30
TPSA108.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.92
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride
CID 90313745
2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol
CID 90329838
5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine
CID 137396065
tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate
CID 90314275
5-[2-fluoro-4-[2-(2-morpholin-4-ylethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine
CID 138712041
2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine
CID 161080300
5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine
CID 137396074
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol
CID 90314151
3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 90314370
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(cyclobutylmethyl)benzenesulfonamide
CID 90312981
5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine
CID 90314130
N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide
CID 90313395

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride?
The IUPAC name of 5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride (CID 90315188) is 5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride.
What is the SMILES notation for 5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride?
The canonical SMILES for 5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride is Cl.Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCOCC3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride?
The InChIKey is JZCQGBZAYBBURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S.ClH/c21-17-10-13(3-4-16(17)18-11-25-19(22)12-24-18)15-2-1-7-23-20(15)29(26,27)14-5-8-28-9-6-14;/h1-4,7,10-12,14H,5-6,8-9H2,(H2,22,25);1H.
What are the key properties of 5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride?
5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride has a molecular weight of 450.92 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride is sourced from PubChem (CID 90315188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).