N-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide

C23H25FN6O4S — CID 139519368

IUPACN-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC(CC)c3cncc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C23H25FN6O4S/c1-3-18(20-11-25-12-21(27-20)30-35(32,33)15-6-7-15)29-23(31)16-8-5-14(9-17(16)24)19-10-26-13-22(28-19)34-4-2/h5,8-13,15,18H,3-4,6-7H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyFXPMQBFDLHJZNA-UHFFFAOYSA-N
MW500.56 g/mol
LogP3.26
Rot. Bonds10

About N-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide

N-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide (PubChem CID 139519368) has the molecular formula C23H25FN6O4S and a molecular weight of 500.56 g/mol. Its IUPAC name is N-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
PubChem CID139519368
Molecular FormulaC23H25FN6O4S
Molecular Weight500.56 g/mol
Exact Mass500.16
IUPAC NameN-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC(CC)c3cncc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C23H25FN6O4S/c1-3-18(20-11-25-12-21(27-20)30-35(32,33)15-6-7-15)29-23(31)16-8-5-14(9-17(16)24)19-10-26-13-22(28-19)34-4-2/h5,8-13,15,18H,3-4,6-7H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyFXPMQBFDLHJZNA-UHFFFAOYSA-N
XLogP3.26
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide 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-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The IUPAC name of N-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide (CID 139519368) is N-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide is CCOc1cncc(-c2ccc(C(=O)NC(CC)c3cncc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1.
What is the InChIKey of N-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The InChIKey is FXPMQBFDLHJZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O4S/c1-3-18(20-11-25-12-21(27-20)30-35(32,33)15-6-7-15)29-23(31)16-8-5-14(9-17(16)24)19-10-26-13-22(28-19)34-4-2/h5,8-13,15,18H,3-4,6-7H2,1-2H3,(H,27,30)(H,29,31).
What are the key properties of N-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
N-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide has a molecular weight of 500.56 g/mol, XLogP of 3.26, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 139519368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).