5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride

C21H22ClFN4O2S — CID 90313745

IUPAC5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride
SMILESCl.Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCCCC3)cc2F)cn1
InChIInChI=1S/C21H21FN4O2S.ClH/c22-18-11-14(8-9-17(18)19-12-26-20(23)13-25-19)16-7-4-10-24-21(16)29(27,28)15-5-2-1-3-6-15;/h4,7-13,15H,1-3,5-6H2,(H2,23,26);1H
InChIKeyOYMSOHMNSUIALV-UHFFFAOYSA-N
MW448.95 g/mol
LogP4.46
Rot. Bonds4

About 5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride

5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride (PubChem CID 90313745) has the molecular formula C21H22ClFN4O2S and a molecular weight of 448.95 g/mol. Its IUPAC name is 5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride
PubChem CID90313745
Molecular FormulaC21H22ClFN4O2S
Molecular Weight448.95 g/mol
Exact Mass448.11
IUPAC Name5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride
SMILESCl.Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCCCC3)cc2F)cn1
InChIInChI=1S/C21H21FN4O2S.ClH/c22-18-11-14(8-9-17(18)19-12-26-20(23)13-25-19)16-7-4-10-24-21(16)29(27,28)15-5-2-1-3-6-15;/h4,7-13,15H,1-3,5-6H2,(H2,23,26);1H
InChIKeyOYMSOHMNSUIALV-UHFFFAOYSA-N
XLogP4.46
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride
CID 90315188
2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol
CID 90329838
tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate
CID 90314275
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
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(cyclobutylmethyl)benzenesulfonamide
CID 90312981
N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide
CID 90313395
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol
CID 90314151
5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine
CID 137396065
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2-oxoazepan-3-yl)-sulfanylmethyl]benzenesulfonamide
CID 123481480
5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine
CID 137396074
3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 90314370
5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine
CID 90314130

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride?
The IUPAC name of 5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride (CID 90313745) is 5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride.
What is the SMILES notation for 5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride?
The canonical SMILES for 5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride is Cl.Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCCCC3)cc2F)cn1.
What is the InChIKey of 5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride?
The InChIKey is OYMSOHMNSUIALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2S.ClH/c22-18-11-14(8-9-17(18)19-12-26-20(23)13-25-19)16-7-4-10-24-21(16)29(27,28)15-5-2-1-3-6-15;/h4,7-13,15H,1-3,5-6H2,(H2,23,26);1H.
What are the key properties of 5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride?
5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride has a molecular weight of 448.95 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride is sourced from PubChem (CID 90313745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).