2,6-difluoro-3-methyl-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol

C18H19F2N5O3S — CID 163234084

IUPAC2,6-difluoro-3-methyl-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol
SMILESCc1cc(-n2ncc3cc(N4CCN(S(C)(=O)=O)CC4)ncc32)c(F)c(O)c1F
InChIInChI=1S/C18H19F2N5O3S/c1-11-7-13(17(20)18(26)16(11)19)25-14-10-21-15(8-12(14)9-22-25)23-3-5-24(6-4-23)29(2,27)28/h7-10,26H,3-6H2,1-2H3
InChIKeyWSHFNWUNEOKCIG-UHFFFAOYSA-N
MW423.45 g/mol
LogP1.79
Rot. Bonds3

About 2,6-difluoro-3-methyl-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol

2,6-difluoro-3-methyl-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol (PubChem CID 163234084) has the molecular formula C18H19F2N5O3S and a molecular weight of 423.45 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol
PubChem CID163234084
Molecular FormulaC18H19F2N5O3S
Molecular Weight423.45 g/mol
Exact Mass423.12
IUPAC Name2,6-difluoro-3-methyl-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol
SMILESCc1cc(-n2ncc3cc(N4CCN(S(C)(=O)=O)CC4)ncc32)c(F)c(O)c1F
InChIInChI=1S/C18H19F2N5O3S/c1-11-7-13(17(20)18(26)16(11)19)25-14-10-21-15(8-12(14)9-22-25)23-3-5-24(6-4-23)29(2,27)28/h7-10,26H,3-6H2,1-2H3
InChIKeyWSHFNWUNEOKCIG-UHFFFAOYSA-N
XLogP1.79
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,6-difluoro-3-methyl-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Chloro-2-fluoro-3-(5-(4-(methylsulfonyl)piperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine-1-yl)phenol
CID 163233802
2-Fluoro-5-(5-(2-methyl-4-(methylsulfonyl)piperazin-1-yl)-2H-pyrazolo[3,4-c]pyridine-2-yl)-3-(trifluoromethyl)phenol
CID 163233830
2-Fluoro-3-(5-(4-(methylsulfony])piperazin-1-yl)-2H-pyrazolo[3,4-c]pyridine-2-yl)-6-(trifluoromethyl)phenol
CID 163233831
3-(5-(Ethyl(tetrahydro-2H-pyran-4-yl)amino)-3-methyl-1H-pyrazolo[3,4-c]65yridine-1-yl)-2,6-difluoro-5-(trifluoromethyl)phenol
CID 163233833
2,6-Difluoro-3-(5-(4-methoxypiperidin-1-yl)-3-methyl-1H-pyrazolo[3,4-c]64yridine-1-yl)-5-(trifluoromethyl)phenol
CID 163233839
(S)-2-Fluoro-5-(5-(3-methylmorpholino)-1H-pyrazolo[3,4-c]pyridin-1-yl)-3-(trifluoromethyl)phenol
CID 163233856
2,6-Difluoro-3-(4-fluoro-3-methyl-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-pyrazolo[3,4-c]pyridin-1-yl)-5-(trifluoromethyl)phenol
CID 163233864
3-(5-(4-(Cyclopropylmethoxy)piperidin-1-yl)-3-methyl-1H-pyrazolo[3,4-c]65yridine-1-yl)-2,6-difluoro-5-(trifluoromethyl)phenol
CID 163233871
5-(5-(3,3-Dimethylmorpholino)-1H-pyrazolo[3,4-c]pyridine-1-yl)-2-fluoro-3-(trifluoromethyl)phenol
CID 163233876
2-Fluoro-5-(5-(4-(methylsulfonyl)piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-1-yl)-3-(trifluoromethyl)phenol
CID 163233885
2,6-Difluoro-3-(3-methyl-5-(2,2,6,6-tetramethylmorpholino)-1H-pyrazolo[4,3-d]pyrimidin-1-yl)-5-(trifluoromethyl)phenol
CID 163233945
2,6-Difluoro-3-(3-methyl-5-(pentyloxy)-1H-pyrazolo[4,3-d]pyrimidin-1-yl)-5-(trifluoromethyl)phenol
CID 163233953

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol?
The IUPAC name of 2,6-difluoro-3-methyl-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol (CID 163234084) is 2,6-difluoro-3-methyl-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol.
What is the SMILES notation for 2,6-difluoro-3-methyl-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol?
The canonical SMILES for 2,6-difluoro-3-methyl-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol is Cc1cc(-n2ncc3cc(N4CCN(S(C)(=O)=O)CC4)ncc32)c(F)c(O)c1F.
What is the InChIKey of 2,6-difluoro-3-methyl-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol?
The InChIKey is WSHFNWUNEOKCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O3S/c1-11-7-13(17(20)18(26)16(11)19)25-14-10-21-15(8-12(14)9-22-25)23-3-5-24(6-4-23)29(2,27)28/h7-10,26H,3-6H2,1-2H3.
What are the key properties of 2,6-difluoro-3-methyl-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol?
2,6-difluoro-3-methyl-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol has a molecular weight of 423.45 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol is sourced from PubChem (CID 163234084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).