2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine

C15H20ClN5O3S — CID 172893391

IUPAC2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine
SMILESCCn1nc(C)c(S(=O)(=O)N2CC(COc3cncc(Cl)n3)C2)c1C
InChIInChI=1S/C15H20ClN5O3S/c1-4-21-11(3)15(10(2)19-21)25(22,23)20-7-12(8-20)9-24-14-6-17-5-13(16)18-14/h5-6,12H,4,7-9H2,1-3H3
InChIKeyUXELTFXJAJFHKS-UHFFFAOYSA-N
MW385.88 g/mol
LogP1.66
Rot. Bonds6

About 2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine

2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine (PubChem CID 172893391) has the molecular formula C15H20ClN5O3S and a molecular weight of 385.88 g/mol. Its IUPAC name is 2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine
PubChem CID172893391
Molecular FormulaC15H20ClN5O3S
Molecular Weight385.88 g/mol
Exact Mass385.10
IUPAC Name2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine
SMILESCCn1nc(C)c(S(=O)(=O)N2CC(COc3cncc(Cl)n3)C2)c1C
InChIInChI=1S/C15H20ClN5O3S/c1-4-21-11(3)15(10(2)19-21)25(22,23)20-7-12(8-20)9-24-14-6-17-5-13(16)18-14/h5-6,12H,4,7-9H2,1-3H3
InChIKeyUXELTFXJAJFHKS-UHFFFAOYSA-N
XLogP1.66
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine 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 2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine?
The IUPAC name of 2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine (CID 172893391) is 2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine.
What is the SMILES notation for 2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine?
The canonical SMILES for 2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine is CCn1nc(C)c(S(=O)(=O)N2CC(COc3cncc(Cl)n3)C2)c1C.
What is the InChIKey of 2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine?
The InChIKey is UXELTFXJAJFHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O3S/c1-4-21-11(3)15(10(2)19-21)25(22,23)20-7-12(8-20)9-24-14-6-17-5-13(16)18-14/h5-6,12H,4,7-9H2,1-3H3.
What are the key properties of 2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine?
2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine has a molecular weight of 385.88 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine is sourced from PubChem (CID 172893391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).