N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine

C22H24N6O2S — CID 122351509

IUPACN-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESCc1ccc(Nc2ccc(N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)nn2)nc1
InChIInChI=1S/C22H24N6O2S/c1-18-7-8-20(23-17-18)24-21-9-10-22(26-25-21)27-12-14-28(15-13-27)31(29,30)16-11-19-5-3-2-4-6-19/h2-11,16-17H,12-15H2,1H3,(H,23,24,25)/b16-11+
InChIKeyWPOVRCCHCGNTBI-LFIBNONCSA-N
MW436.54 g/mol
LogP3.05
Rot. Bonds6

About N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine

N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine (PubChem CID 122351509) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
PubChem CID122351509
Molecular FormulaC22H24N6O2S
Molecular Weight436.54 g/mol
Exact Mass436.17
IUPAC NameN-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESCc1ccc(Nc2ccc(N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)nn2)nc1
InChIInChI=1S/C22H24N6O2S/c1-18-7-8-20(23-17-18)24-21-9-10-22(26-25-21)27-12-14-28(15-13-27)31(29,30)16-11-19-5-3-2-4-6-19/h2-11,16-17H,12-15H2,1H3,(H,23,24,25)/b16-11+
InChIKeyWPOVRCCHCGNTBI-LFIBNONCSA-N
XLogP3.05
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine with MolForge

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Related Compounds

6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347259
6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 122347759
N-(5-methyl-2-pyridinyl)-6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 56922339
6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
CID 122351536
3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine
CID 94858075
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 70702478
3-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490687
4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide
CID 56919619
N-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122351537
6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
CID 122351519
(E)-3-(2-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 122351352
(2-methylphenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 56919498

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine?
The IUPAC name of N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine (CID 122351509) is N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine is Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)nn2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine?
The InChIKey is WPOVRCCHCGNTBI-LFIBNONCSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-18-7-8-20(23-17-18)24-21-9-10-22(26-25-21)27-12-14-28(15-13-27)31(29,30)16-11-19-5-3-2-4-6-19/h2-11,16-17H,12-15H2,1H3,(H,23,24,25)/b16-11+.
What are the key properties of N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine?
N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine has a molecular weight of 436.54 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 122351509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).