2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide

C22H24FN7O4S — CID 139510070

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide
SMILESCCOc1cncc(-c2cnc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C22H24FN7O4S/c1-3-15(17-7-8-25-22(28-17)30-35(32,33)14-5-6-14)21(31)29-20-16(23)9-13(10-26-20)18-11-24-12-19(27-18)34-4-2/h7-12,14-15H,3-6H2,1-2H3,(H,25,28,30)(H,26,29,31)
InChIKeyDBQVNYJSALPBTC-UHFFFAOYSA-N
MW501.54 g/mol
LogP2.90
Rot. Bonds10

About 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide (PubChem CID 139510070) has the molecular formula C22H24FN7O4S and a molecular weight of 501.54 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide
PubChem CID139510070
Molecular FormulaC22H24FN7O4S
Molecular Weight501.54 g/mol
Exact Mass501.16
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide
SMILESCCOc1cncc(-c2cnc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C22H24FN7O4S/c1-3-15(17-7-8-25-22(28-17)30-35(32,33)14-5-6-14)21(31)29-20-16(23)9-13(10-26-20)18-11-24-12-19(27-18)34-4-2/h7-12,14-15H,3-6H2,1-2H3,(H,25,28,30)(H,26,29,31)
InChIKeyDBQVNYJSALPBTC-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide with MolForge

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Related Compounds

N-[2-chloro-4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
CID 139503374
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide
CID 139503377
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl]propanamide
CID 139503382
1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 139503387
1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide
CID 139503388
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503392
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide
CID 139503393
N-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
CID 139503398
2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503406
2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503412
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide
CID 139503414
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503415

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide (CID 139510070) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide is CCOc1cncc(-c2cnc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide?
The InChIKey is DBQVNYJSALPBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O4S/c1-3-15(17-7-8-25-22(28-17)30-35(32,33)14-5-6-14)21(31)29-20-16(23)9-13(10-26-20)18-11-24-12-19(27-18)34-4-2/h7-12,14-15H,3-6H2,1-2H3,(H,25,28,30)(H,26,29,31).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide has a molecular weight of 501.54 g/mol, XLogP of 2.90, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide is sourced from PubChem (CID 139510070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).