N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide

C22H25FN6O4S — CID 139503467

IUPACN-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)CC)n3)c(F)c2)n1
InChIInChI=1S/C22H25FN6O4S/c1-5-33-19-13-24-12-17(26-19)14-7-8-16(15(23)11-14)27-20(30)22(3,4)18-9-10-25-21(28-18)29-34(31,32)6-2/h7-13H,5-6H2,1-4H3,(H,27,30)(H,25,28,29)
InChIKeyMONPXKALLHLJSJ-UHFFFAOYSA-N
MW488.55 g/mol
LogP3.15
Rot. Bonds9

About N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide

N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide (PubChem CID 139503467) has the molecular formula C22H25FN6O4S and a molecular weight of 488.55 g/mol. Its IUPAC name is N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
PubChem CID139503467
Molecular FormulaC22H25FN6O4S
Molecular Weight488.55 g/mol
Exact Mass488.16
IUPAC NameN-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)CC)n3)c(F)c2)n1
InChIInChI=1S/C22H25FN6O4S/c1-5-33-19-13-24-12-17(26-19)14-7-8-16(15(23)11-14)27-20(30)22(3,4)18-9-10-25-21(28-18)29-34(31,32)6-2/h7-13H,5-6H2,1-4H3,(H,27,30)(H,25,28,29)
InChIKeyMONPXKALLHLJSJ-UHFFFAOYSA-N
XLogP3.15
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide (CID 139503467) is N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide is CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)CC)n3)c(F)c2)n1.
What is the InChIKey of N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide?
The InChIKey is MONPXKALLHLJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O4S/c1-5-33-19-13-24-12-17(26-19)14-7-8-16(15(23)11-14)27-20(30)22(3,4)18-9-10-25-21(28-18)29-34(31,32)6-2/h7-13H,5-6H2,1-4H3,(H,27,30)(H,25,28,29).
What are the key properties of N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide?
N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide has a molecular weight of 488.55 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 139503467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).