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

C20H26N8O2S — CID 122351537

IUPACN-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESCc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4c(C)nn(C)c4C)CC3)nn2)nc1
InChIInChI=1S/C20H26N8O2S/c1-14-5-6-17(21-13-14)22-18-7-8-19(24-23-18)27-9-11-28(12-10-27)31(29,30)20-15(2)25-26(4)16(20)3/h5-8,13H,9-12H2,1-4H3,(H,21,22,23)
InChIKeyKQBZZSYBWNDISM-UHFFFAOYSA-N
MW442.55 g/mol
LogP1.78
Rot. Bonds5

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

N-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine (PubChem CID 122351537) has the molecular formula C20H26N8O2S and a molecular weight of 442.55 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine
PubChem CID122351537
Molecular FormulaC20H26N8O2S
Molecular Weight442.55 g/mol
Exact Mass442.19
IUPAC NameN-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESCc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4c(C)nn(C)c4C)CC3)nn2)nc1
InChIInChI=1S/C20H26N8O2S/c1-14-5-6-17(21-13-14)22-18-7-8-19(24-23-18)27-9-11-28(12-10-27)31(29,30)20-15(2)25-26(4)16(20)3/h5-8,13H,9-12H2,1-4H3,(H,21,22,23)
InChIKeyKQBZZSYBWNDISM-UHFFFAOYSA-N
XLogP1.78
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
CID 122351536
N-(5-methyl-2-pyridinyl)-6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 56922339
6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
CID 122351519
N-[3-methyl-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 122351544
N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122351509
6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347284
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 50945710
N-(4-methylphenyl)-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 26843158
1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 19683131
6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
CID 122351561
2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 19682868
N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 44827469

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
The IUPAC name of N-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine (CID 122351537) is N-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine is Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4c(C)nn(C)c4C)CC3)nn2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
The InChIKey is KQBZZSYBWNDISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2S/c1-14-5-6-17(21-13-14)22-18-7-8-19(24-23-18)27-9-11-28(12-10-27)31(29,30)20-15(2)25-26(4)16(20)3/h5-8,13H,9-12H2,1-4H3,(H,21,22,23).
What are the key properties of N-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
N-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine has a molecular weight of 442.55 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 122351537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).