2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide

C22H24FN7O4S — CID 139510040

IUPAC2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(F)(CC)c3cncc(NS(=O)(=O)C4CC4)n3)nc2)n1
InChIInChI=1S/C22H24FN7O4S/c1-3-22(23,17-11-25-12-19(28-17)30-35(32,33)15-6-7-15)21(31)29-18-8-5-14(9-26-18)16-10-24-13-20(27-16)34-4-2/h5,8-13,15H,3-4,6-7H2,1-2H3,(H,28,30)(H,26,29,31)
InChIKeyXJXPSDUJARNZBS-UHFFFAOYSA-N
MW501.54 g/mol
LogP2.84
Rot. Bonds10

About 2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide

2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide (PubChem CID 139510040) has the molecular formula C22H24FN7O4S and a molecular weight of 501.54 g/mol. Its IUPAC name is 2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide.

Molecular Properties

Compound Name2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide
PubChem CID139510040
Molecular FormulaC22H24FN7O4S
Molecular Weight501.54 g/mol
Exact Mass501.16
IUPAC Name2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(F)(CC)c3cncc(NS(=O)(=O)C4CC4)n3)nc2)n1
InChIInChI=1S/C22H24FN7O4S/c1-3-22(23,17-11-25-12-19(28-17)30-35(32,33)15-6-7-15)21(31)29-18-8-5-14(9-26-18)16-10-24-13-20(27-16)34-4-2/h5,8-13,15H,3-4,6-7H2,1-2H3,(H,28,30)(H,26,29,31)
InChIKeyXJXPSDUJARNZBS-UHFFFAOYSA-N
XLogP2.84
TPSA148.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.54
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide?
The IUPAC name of 2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide (CID 139510040) is 2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide.
What is the SMILES notation for 2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide?
The canonical SMILES for 2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide is CCOc1cncc(-c2ccc(NC(=O)C(F)(CC)c3cncc(NS(=O)(=O)C4CC4)n3)nc2)n1.
What is the InChIKey of 2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide?
The InChIKey is XJXPSDUJARNZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O4S/c1-3-22(23,17-11-25-12-19(28-17)30-35(32,33)15-6-7-15)21(31)29-18-8-5-14(9-26-18)16-10-24-13-20(27-16)34-4-2/h5,8-13,15H,3-4,6-7H2,1-2H3,(H,28,30)(H,26,29,31).
What are the key properties of 2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide?
2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide has a molecular weight of 501.54 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide is sourced from PubChem (CID 139510040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).