3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

C19H20N8O2S — CID 126913150

IUPAC3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cc(S(=O)(=O)N2CCC(c3nnc4ccc(-c5cccnc5)nn34)CC2)cn1
InChIInChI=1S/C19H20N8O2S/c1-25-13-16(12-21-25)30(28,29)26-9-6-14(7-10-26)19-23-22-18-5-4-17(24-27(18)19)15-3-2-8-20-11-15/h2-5,8,11-14H,6-7,9-10H2,1H3
InChIKeyYBEIUYQSQYFBDK-UHFFFAOYSA-N
MW424.49 g/mol
LogP1.49
Rot. Bonds4

About 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126913150) has the molecular formula C19H20N8O2S and a molecular weight of 424.49 g/mol. Its IUPAC name is 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126913150
Molecular FormulaC19H20N8O2S
Molecular Weight424.49 g/mol
Exact Mass424.14
IUPAC Name3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cc(S(=O)(=O)N2CCC(c3nnc4ccc(-c5cccnc5)nn34)CC2)cn1
InChIInChI=1S/C19H20N8O2S/c1-25-13-16(12-21-25)30(28,29)26-9-6-14(7-10-26)19-23-22-18-5-4-17(24-27(18)19)15-3-2-8-20-11-15/h2-5,8,11-14H,6-7,9-10H2,1H3
InChIKeyYBEIUYQSQYFBDK-UHFFFAOYSA-N
XLogP1.49
TPSA111.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-tert-butyl-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910617
3-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrrolidin-2-one
CID 126913243
4-methyl-2-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole
CID 126913291
3-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126913208
3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126913121
6-pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126913152
3-methyl-6-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 126913144
6-(1-methylpyrazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;bis(2,2,2-trifluoroacetic acid)
CID 155832901
1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol
CID 126913279
3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126913145
6-[4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 139028168
3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129381835

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 126913150) is 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is Cn1cc(S(=O)(=O)N2CCC(c3nnc4ccc(-c5cccnc5)nn34)CC2)cn1.
What is the InChIKey of 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is YBEIUYQSQYFBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2S/c1-25-13-16(12-21-25)30(28,29)26-9-6-14(7-10-26)19-23-22-18-5-4-17(24-27(18)19)15-3-2-8-20-11-15/h2-5,8,11-14H,6-7,9-10H2,1H3.
What are the key properties of 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 424.49 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126913150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).