3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine

C19H20N6O3S — CID 122339139

IUPAC3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C19H20N6O3S/c26-29(27,16-2-3-17-15(14-16)6-13-28-17)24-11-9-23(10-12-24)18-4-5-19(22-21-18)25-8-1-7-20-25/h1-5,7-8,14H,6,9-13H2
InChIKeySPPRLAARULEDRO-UHFFFAOYSA-N
MW412.48 g/mol
LogP1.11
Rot. Bonds4

About 3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine

3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine (PubChem CID 122339139) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is 3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine.

Molecular Properties

Compound Name3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
PubChem CID122339139
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC Name3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C19H20N6O3S/c26-29(27,16-2-3-17-15(14-16)6-13-28-17)24-11-9-23(10-12-24)18-4-5-19(22-21-18)25-8-1-7-20-25/h1-5,7-8,14H,6,9-13H2
InChIKeySPPRLAARULEDRO-UHFFFAOYSA-N
XLogP1.11
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-pyrazol-1-yl-6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339169
6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine
CID 122335661
1-(5-bromo-2-pyridinyl)-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine
CID 55681889
1,4-bis(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane
CID 55511916
3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazine
CID 122337124
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-pyridin-3-ylsulfonylpiperazine
CID 55627540
1-[6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]azepane
CID 122335094
4-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyrimidine
CID 122338388
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 122337885
4-[6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]pyridazin-4-yl]morpholine
CID 122355504
3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 122336539
2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide
CID 122339159

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine?
The IUPAC name of 3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine (CID 122339139) is 3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine.
What is the SMILES notation for 3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine?
The canonical SMILES for 3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine is O=S(=O)(c1ccc2c(c1)CCO2)N1CCN(c2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of 3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine?
The InChIKey is SPPRLAARULEDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c26-29(27,16-2-3-17-15(14-16)6-13-28-17)24-11-9-23(10-12-24)18-4-5-19(22-21-18)25-8-1-7-20-25/h1-5,7-8,14H,6,9-13H2.
What are the key properties of 3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine?
3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine has a molecular weight of 412.48 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine is sourced from PubChem (CID 122339139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).