2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol

C22H24FN5O3S — CID 90329838

IUPAC2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol
SMILESNc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCN(CCO)CC3)cc2F)cn1
InChIInChI=1S/C22H24FN5O3S/c23-19-12-15(3-4-18(19)20-13-27-21(24)14-26-20)17-2-1-7-25-22(17)32(30,31)16-5-8-28(9-6-16)10-11-29/h1-4,7,12-14,16,29H,5-6,8-11H2,(H2,24,27)
InChIKeyCQWAWJLTUYMITR-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.16
Rot. Bonds6

About 2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol

2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol (PubChem CID 90329838) has the molecular formula C22H24FN5O3S and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol
PubChem CID90329838
Molecular FormulaC22H24FN5O3S
Molecular Weight457.53 g/mol
Exact Mass457.16
IUPAC Name2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol
SMILESNc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCN(CCO)CC3)cc2F)cn1
InChIInChI=1S/C22H24FN5O3S/c23-19-12-15(3-4-18(19)20-13-27-21(24)14-26-20)17-2-1-7-25-22(17)32(30,31)16-5-8-28(9-6-16)10-11-29/h1-4,7,12-14,16,29H,5-6,8-11H2,(H2,24,27)
InChIKeyCQWAWJLTUYMITR-UHFFFAOYSA-N
XLogP2.16
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride
CID 90313745
5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride
CID 90315188
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
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
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol
CID 90314151
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
[1-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]methylsulfonyl]piperidin-4-yl]urea
CID 90313760
5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine
CID 137396065
5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine
CID 137396074

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol (CID 90329838) is 2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol is Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCN(CCO)CC3)cc2F)cn1.
What is the InChIKey of 2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol?
The InChIKey is CQWAWJLTUYMITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3S/c23-19-12-15(3-4-18(19)20-13-27-21(24)14-26-20)17-2-1-7-25-22(17)32(30,31)16-5-8-28(9-6-16)10-11-29/h1-4,7,12-14,16,29H,5-6,8-11H2,(H2,24,27).
What are the key properties of 2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol?
2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol has a molecular weight of 457.53 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 90329838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).