3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine

C20H25F2N5O2S — CID 121053202

IUPAC3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine
SMILESCC1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nn1
InChIInChI=1S/C20H25F2N5O2S/c1-15-4-2-3-9-27(15)20-8-7-19(23-24-20)25-10-12-26(13-11-25)30(28,29)18-14-16(21)5-6-17(18)22/h5-8,14-15H,2-4,9-13H2,1H3
InChIKeyBCFPYSQXXAVMGJ-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.64
Rot. Bonds4

About 3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine

3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine (PubChem CID 121053202) has the molecular formula C20H25F2N5O2S and a molecular weight of 437.52 g/mol. Its IUPAC name is 3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine
PubChem CID121053202
Molecular FormulaC20H25F2N5O2S
Molecular Weight437.52 g/mol
Exact Mass437.17
IUPAC Name3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine
SMILESCC1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nn1
InChIInChI=1S/C20H25F2N5O2S/c1-15-4-2-3-9-27(15)20-8-7-19(23-24-20)25-10-12-26(13-11-25)30(28,29)18-14-16(21)5-6-17(18)22/h5-8,14-15H,2-4,9-13H2,1H3
InChIKeyBCFPYSQXXAVMGJ-UHFFFAOYSA-N
XLogP2.64
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine?
The IUPAC name of 3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine (CID 121053202) is 3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine.
What is the SMILES notation for 3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine?
The canonical SMILES for 3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine is CC1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nn1.
What is the InChIKey of 3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine?
The InChIKey is BCFPYSQXXAVMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N5O2S/c1-15-4-2-3-9-27(15)20-8-7-19(23-24-20)25-10-12-26(13-11-25)30(28,29)18-14-16(21)5-6-17(18)22/h5-8,14-15H,2-4,9-13H2,1H3.
What are the key properties of 3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine?
3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine has a molecular weight of 437.52 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine is sourced from PubChem (CID 121053202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).