3-[6-(benzenesulfonyl)pyridazin-3-yl]-2-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrazine

C22H13F2N5O2S — CID 139950276

IUPAC3-[6-(benzenesulfonyl)pyridazin-3-yl]-2-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrazine
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2c(-c3ccc(F)cc3F)nn3ccncc23)nn1
InChIInChI=1S/C22H13F2N5O2S/c23-14-6-7-16(17(24)12-14)22-21(19-13-25-10-11-29(19)28-22)18-8-9-20(27-26-18)32(30,31)15-4-2-1-3-5-15/h1-13H
InChIKeyHQGUTWFHQBPJCU-UHFFFAOYSA-N
MW449.44 g/mol
LogP3.96
Rot. Bonds4

About 3-[6-(benzenesulfonyl)pyridazin-3-yl]-2-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrazine

3-[6-(benzenesulfonyl)pyridazin-3-yl]-2-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrazine (PubChem CID 139950276) has the molecular formula C22H13F2N5O2S and a molecular weight of 449.44 g/mol. Its IUPAC name is 3-[6-(benzenesulfonyl)pyridazin-3-yl]-2-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-[6-(benzenesulfonyl)pyridazin-3-yl]-2-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrazine
PubChem CID139950276
Molecular FormulaC22H13F2N5O2S
Molecular Weight449.44 g/mol
Exact Mass449.08
IUPAC Name3-[6-(benzenesulfonyl)pyridazin-3-yl]-2-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrazine
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2c(-c3ccc(F)cc3F)nn3ccncc23)nn1
InChIInChI=1S/C22H13F2N5O2S/c23-14-6-7-16(17(24)12-14)22-21(19-13-25-10-11-29(19)28-22)18-8-9-20(27-26-18)32(30,31)15-4-2-1-3-5-15/h1-13H
InChIKeyHQGUTWFHQBPJCU-UHFFFAOYSA-N
XLogP3.96
TPSA90.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(benzenesulfonyl)-6-[2-(2,4-difluorophenyl)ethynyl]pyridazine
CID 70067206
6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-methylpyridazin-3-one
CID 139950248
1-ethyl-5-[2-(2-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-one
CID 22180653
2-(2-methylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyrazin-3-yl)pyridazin-3-one
CID 139950230
1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene
CID 67238966
3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine
CID 53033983
7-(2,4-difluorophenyl)-2,6-diphenylimidazo[2,1-e]pyrazol-3-one
CID 141219304
[2-(2,4-difluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methanamine
CID 178079110
7-(2,4-difluorophenyl)-6-phenylimidazo[2,1-e]pyrazol-3-one
CID 141219327
4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine
CID 64949320
1-[5-(2,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine;dihydrochloride
CID 66925105
3-(benzenesulfonyl)pyridine
CID 5147032

Frequently Asked Questions

What is the IUPAC name of 3-[6-(benzenesulfonyl)pyridazin-3-yl]-2-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 3-[6-(benzenesulfonyl)pyridazin-3-yl]-2-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrazine (CID 139950276) is 3-[6-(benzenesulfonyl)pyridazin-3-yl]-2-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 3-[6-(benzenesulfonyl)pyridazin-3-yl]-2-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 3-[6-(benzenesulfonyl)pyridazin-3-yl]-2-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrazine is O=S(=O)(c1ccccc1)c1ccc(-c2c(-c3ccc(F)cc3F)nn3ccncc23)nn1.
What is the InChIKey of 3-[6-(benzenesulfonyl)pyridazin-3-yl]-2-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is HQGUTWFHQBPJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F2N5O2S/c23-14-6-7-16(17(24)12-14)22-21(19-13-25-10-11-29(19)28-22)18-8-9-20(27-26-18)32(30,31)15-4-2-1-3-5-15/h1-13H.
What are the key properties of 3-[6-(benzenesulfonyl)pyridazin-3-yl]-2-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrazine?
3-[6-(benzenesulfonyl)pyridazin-3-yl]-2-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 449.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(benzenesulfonyl)pyridazin-3-yl]-2-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 139950276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).