3,5-bis(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzenesulfonohydrazide

C17H15F6N5O2S — CID 2820491

IUPAC3,5-bis(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzenesulfonohydrazide
SMILESCc1cc(NNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2c1c(C)nn2C
InChIInChI=1S/C17H15F6N5O2S/c1-8-4-13(24-15-14(8)9(2)26-28(15)3)25-27-31(29,30)12-6-10(16(18,19)20)5-11(7-12)17(21,22)23/h4-7,27H,1-3H3,(H,24,25)
InChIKeyRAZFZITXHHGKPJ-UHFFFAOYSA-N
MW467.40 g/mol
LogP3.93
Rot. Bonds4

About 3,5-bis(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzenesulfonohydrazide

3,5-bis(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzenesulfonohydrazide (PubChem CID 2820491) has the molecular formula C17H15F6N5O2S and a molecular weight of 467.40 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzenesulfonohydrazide.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzenesulfonohydrazide
PubChem CID2820491
Molecular FormulaC17H15F6N5O2S
Molecular Weight467.40 g/mol
Exact Mass467.09
IUPAC Name3,5-bis(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzenesulfonohydrazide
SMILESCc1cc(NNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2c1c(C)nn2C
InChIInChI=1S/C17H15F6N5O2S/c1-8-4-13(24-15-14(8)9(2)26-28(15)3)25-27-31(29,30)12-6-10(16(18,19)20)5-11(7-12)17(21,22)23/h4-7,27H,1-3H3,(H,24,25)
InChIKeyRAZFZITXHHGKPJ-UHFFFAOYSA-N
XLogP3.93
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-benzenesulfonamide
CID 24905162
4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;hydrochloride
CID 162667358
US9718825, Example 95
CID 136213120
US9718825, Example 165
CID 136213183
US9718825, Example 169
CID 136213184
US9718825, Example 374
CID 136213341
US9718825, Example 472
CID 136213398
US9718825, Example 488
CID 136213411
4-[2-[[2-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide
CID 49790534
4-fluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)phenyl]benzenesulfonamide
CID 89993989
3-fluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)phenyl]benzenesulfonamide
CID 90114471
N-[4-(3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90114744

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzenesulfonohydrazide?
The IUPAC name of 3,5-bis(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzenesulfonohydrazide (CID 2820491) is 3,5-bis(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzenesulfonohydrazide.
What is the SMILES notation for 3,5-bis(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzenesulfonohydrazide?
The canonical SMILES for 3,5-bis(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzenesulfonohydrazide is Cc1cc(NNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2c1c(C)nn2C.
What is the InChIKey of 3,5-bis(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzenesulfonohydrazide?
The InChIKey is RAZFZITXHHGKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6N5O2S/c1-8-4-13(24-15-14(8)9(2)26-28(15)3)25-27-31(29,30)12-6-10(16(18,19)20)5-11(7-12)17(21,22)23/h4-7,27H,1-3H3,(H,24,25).
What are the key properties of 3,5-bis(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzenesulfonohydrazide?
3,5-bis(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzenesulfonohydrazide has a molecular weight of 467.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)benzenesulfonohydrazide is sourced from PubChem (CID 2820491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).