3-tert-butyl-6-[[1-(1-methylimidazol-2-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine

C17H25N5O3S — CID 154576227

IUPAC3-tert-butyl-6-[[1-(1-methylimidazol-2-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine
SMILESCn1ccnc1S(=O)(=O)N1CCC(COc2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C17H25N5O3S/c1-17(2,3)14-5-6-15(20-19-14)25-12-13-7-9-22(11-13)26(23,24)16-18-8-10-21(16)4/h5-6,8,10,13H,7,9,11-12H2,1-4H3
InChIKeyJNHUSGYRPMUEPB-UHFFFAOYSA-N
MW379.49 g/mol
LogP1.60
Rot. Bonds5

About 3-tert-butyl-6-[[1-(1-methylimidazol-2-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine

3-tert-butyl-6-[[1-(1-methylimidazol-2-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine (PubChem CID 154576227) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-tert-butyl-6-[[1-(1-methylimidazol-2-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine.

Molecular Properties

Compound Name3-tert-butyl-6-[[1-(1-methylimidazol-2-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine
PubChem CID154576227
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC Name3-tert-butyl-6-[[1-(1-methylimidazol-2-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine
SMILESCn1ccnc1S(=O)(=O)N1CCC(COc2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C17H25N5O3S/c1-17(2,3)14-5-6-15(20-19-14)25-12-13-7-9-22(11-13)26(23,24)16-18-8-10-21(16)4/h5-6,8,10,13H,7,9,11-12H2,1-4H3
InChIKeyJNHUSGYRPMUEPB-UHFFFAOYSA-N
XLogP1.60
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-tert-butyl-6-[[1-(1-methylimidazol-2-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine 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 3-tert-butyl-6-[[1-(1-methylimidazol-2-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine?
The IUPAC name of 3-tert-butyl-6-[[1-(1-methylimidazol-2-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine (CID 154576227) is 3-tert-butyl-6-[[1-(1-methylimidazol-2-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine.
What is the SMILES notation for 3-tert-butyl-6-[[1-(1-methylimidazol-2-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine?
The canonical SMILES for 3-tert-butyl-6-[[1-(1-methylimidazol-2-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine is Cn1ccnc1S(=O)(=O)N1CCC(COc2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of 3-tert-butyl-6-[[1-(1-methylimidazol-2-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine?
The InChIKey is JNHUSGYRPMUEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-17(2,3)14-5-6-15(20-19-14)25-12-13-7-9-22(11-13)26(23,24)16-18-8-10-21(16)4/h5-6,8,10,13H,7,9,11-12H2,1-4H3.
What are the key properties of 3-tert-butyl-6-[[1-(1-methylimidazol-2-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine?
3-tert-butyl-6-[[1-(1-methylimidazol-2-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine has a molecular weight of 379.49 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-[[1-(1-methylimidazol-2-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine is sourced from PubChem (CID 154576227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).