4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide

C19H28N6O2S — CID 171324110

IUPAC4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide
SMILESCc1cc(C)n(-c2ccc(N3CCN(CC4CCS(=O)(=O)CC4)CC3)nn2)n1
InChIInChI=1S/C19H28N6O2S/c1-15-13-16(2)25(22-15)19-4-3-18(20-21-19)24-9-7-23(8-10-24)14-17-5-11-28(26,27)12-6-17/h3-4,13,17H,5-12,14H2,1-2H3
InChIKeyFMLXPMLVSLNHNE-UHFFFAOYSA-N
MW404.54 g/mol
LogP1.23
Rot. Bonds4

About 4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide

4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide (PubChem CID 171324110) has the molecular formula C19H28N6O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide
PubChem CID171324110
Molecular FormulaC19H28N6O2S
Molecular Weight404.54 g/mol
Exact Mass404.20
IUPAC Name4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide
SMILESCc1cc(C)n(-c2ccc(N3CCN(CC4CCS(=O)(=O)CC4)CC3)nn2)n1
InChIInChI=1S/C19H28N6O2S/c1-15-13-16(2)25(22-15)19-4-3-18(20-21-19)24-9-7-23(8-10-24)14-17-5-11-28(26,27)12-6-17/h3-4,13,17H,5-12,14H2,1-2H3
InChIKeyFMLXPMLVSLNHNE-UHFFFAOYSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide with MolForge

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Related Compounds

3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 122339362
3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine
CID 171069967
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121034155
3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine
CID 121034232
3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine
CID 163346374
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine
CID 171327082
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 133458607
N-cyclopropyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 56764773
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 155975423
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]furo[3,2-c]pyridine
CID 165434054
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930258
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 90514232

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide?
The IUPAC name of 4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide (CID 171324110) is 4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide?
The canonical SMILES for 4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide is Cc1cc(C)n(-c2ccc(N3CCN(CC4CCS(=O)(=O)CC4)CC3)nn2)n1.
What is the InChIKey of 4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide?
The InChIKey is FMLXPMLVSLNHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2S/c1-15-13-16(2)25(22-15)19-4-3-18(20-21-19)24-9-7-23(8-10-24)14-17-5-11-28(26,27)12-6-17/h3-4,13,17H,5-12,14H2,1-2H3.
What are the key properties of 4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide?
4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide has a molecular weight of 404.54 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide is sourced from PubChem (CID 171324110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).