[4-imidazo[1,2-b]pyridazin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite

C15H11FN6S — CID 134202648

IUPAC[4-imidazo[1,2-b]pyridazin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite
SMILESCc1cccc(-c2nn(SF)cc2-c2ccc3nccn3n2)n1
InChIInChI=1S/C15H11FN6S/c1-10-3-2-4-13(18-10)15-11(9-22(20-15)23-16)12-5-6-14-17-7-8-21(14)19-12/h2-9H,1H3
InChIKeyYKZXBWIZOKNQFX-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.34
Rot. Bonds3

About [4-imidazo[1,2-b]pyridazin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite

[4-imidazo[1,2-b]pyridazin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite (PubChem CID 134202648) has the molecular formula C15H11FN6S and a molecular weight of 326.36 g/mol. Its IUPAC name is [4-imidazo[1,2-b]pyridazin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[4-imidazo[1,2-b]pyridazin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite
PubChem CID134202648
Molecular FormulaC15H11FN6S
Molecular Weight326.36 g/mol
Exact Mass326.07
IUPAC Name[4-imidazo[1,2-b]pyridazin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite
SMILESCc1cccc(-c2nn(SF)cc2-c2ccc3nccn3n2)n1
InChIInChI=1S/C15H11FN6S/c1-10-3-2-4-13(18-10)15-11(9-22(20-15)23-16)12-5-6-14-17-7-8-21(14)19-12/h2-9H,1H3
InChIKeyYKZXBWIZOKNQFX-UHFFFAOYSA-N
XLogP3.34
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]imidazo[1,2-b]pyridazine
CID 169074399
[5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite
CID 134202721
6-pyridin-2-ylimidazo[1,2-b]pyridazine
CID 116854315
[4-(6-methyl-2-pyridinyl)imidazol-1-yl] thiohypofluorite
CID 166146377
6-(2-methoxyphenyl)imidazo[1,2-b]pyridazine
CID 116854317
[4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-[6-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl] thiohypofluorite;ethane
CID 145448859
ethane;[3-(4-fluoro-3-methylphenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl] thiohypofluorite
CID 145448799
6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 175777303
6-(2,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine
CID 116854306
6-(5-methylfuran-2-yl)imidazo[1,2-b]pyridazine
CID 116854319
6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 146389693
6-[5-cyclopropyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
CID 134201722

Frequently Asked Questions

What is the IUPAC name of [4-imidazo[1,2-b]pyridazin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite?
The IUPAC name of [4-imidazo[1,2-b]pyridazin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite (CID 134202648) is [4-imidazo[1,2-b]pyridazin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite.
What is the SMILES notation for [4-imidazo[1,2-b]pyridazin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite?
The canonical SMILES for [4-imidazo[1,2-b]pyridazin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite is Cc1cccc(-c2nn(SF)cc2-c2ccc3nccn3n2)n1.
What is the InChIKey of [4-imidazo[1,2-b]pyridazin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite?
The InChIKey is YKZXBWIZOKNQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6S/c1-10-3-2-4-13(18-10)15-11(9-22(20-15)23-16)12-5-6-14-17-7-8-21(14)19-12/h2-9H,1H3.
What are the key properties of [4-imidazo[1,2-b]pyridazin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite?
[4-imidazo[1,2-b]pyridazin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite has a molecular weight of 326.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-imidazo[1,2-b]pyridazin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite is sourced from PubChem (CID 134202648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).