3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine

C21H23N5O3S — CID 25283752

IUPAC3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccnc4)nn3)CC2)cc1
InChIInChI=1S/C21H23N5O3S/c1-2-29-18-5-7-19(8-6-18)30(27,28)26-14-12-25(13-15-26)21-10-9-20(23-24-21)17-4-3-11-22-16-17/h3-11,16H,2,12-15H2,1H3
InChIKeyCQTURVZMNGMPRX-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.45
Rot. Bonds6

About 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine

3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine (PubChem CID 25283752) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine.

Molecular Properties

Compound Name3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine
PubChem CID25283752
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccnc4)nn3)CC2)cc1
InChIInChI=1S/C21H23N5O3S/c1-2-29-18-5-7-19(8-6-18)30(27,28)26-14-12-25(13-15-26)21-10-9-20(23-24-21)17-4-3-11-22-16-17/h3-11,16H,2,12-15H2,1H3
InChIKeyCQTURVZMNGMPRX-UHFFFAOYSA-N
XLogP2.45
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine 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-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine?
The IUPAC name of 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine (CID 25283752) is 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine.
What is the SMILES notation for 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine?
The canonical SMILES for 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine is CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccnc4)nn3)CC2)cc1.
What is the InChIKey of 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine?
The InChIKey is CQTURVZMNGMPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-2-29-18-5-7-19(8-6-18)30(27,28)26-14-12-25(13-15-26)21-10-9-20(23-24-21)17-4-3-11-22-16-17/h3-11,16H,2,12-15H2,1H3.
What are the key properties of 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine?
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine has a molecular weight of 425.51 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine is sourced from PubChem (CID 25283752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).