2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide

C22H22FN5O3S — CID 139509962

IUPAC2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cnccn2)cc1F)c1cccc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C22H22FN5O3S/c1-22(2,19-4-3-5-20(27-19)28-32(30,31)15-7-8-15)21(29)26-17-9-6-14(12-16(17)23)18-13-24-10-11-25-18/h3-6,9-13,15H,7-8H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyXWRTUXBYQDKXER-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.50
Rot. Bonds7

About 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide

2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide (PubChem CID 139509962) has the molecular formula C22H22FN5O3S and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide
PubChem CID139509962
Molecular FormulaC22H22FN5O3S
Molecular Weight455.52 g/mol
Exact Mass455.14
IUPAC Name2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cnccn2)cc1F)c1cccc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C22H22FN5O3S/c1-22(2,19-4-3-5-20(27-19)28-32(30,31)15-7-8-15)21(29)26-17-9-6-14(12-16(17)23)18-13-24-10-11-25-18/h3-6,9-13,15H,7-8H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyXWRTUXBYQDKXER-UHFFFAOYSA-N
XLogP3.50
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503546
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide
CID 138673862
2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide
CID 150516676
3-[4-(cyclopropylsulfonylamino)pyrimidin-2-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 177175427
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide
CID 138673738
N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfanylamino)pyrimidin-4-yl]-2-methylpropanamide
CID 139515541
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
CID 139503495
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-ylpyrazin-2-yl)phenyl]propanamide
CID 139509947
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-methylpropanamide
CID 138673909
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide
CID 152650660
N-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide
CID 104821673
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-4-methoxybutanamide
CID 139513232

Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide?
The IUPAC name of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide (CID 139509962) is 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide?
The canonical SMILES for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(-c2cnccn2)cc1F)c1cccc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide?
The InChIKey is XWRTUXBYQDKXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3S/c1-22(2,19-4-3-5-20(27-19)28-32(30,31)15-7-8-15)21(29)26-17-9-6-14(12-16(17)23)18-13-24-10-11-25-18/h3-6,9-13,15H,7-8H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide?
2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide has a molecular weight of 455.52 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide is sourced from PubChem (CID 139509962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).