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

C19H19F4N5O3S — CID 163233830

IUPAC2-fluoro-5-[5-(2-methyl-4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]-3-(trifluoromethyl)phenol
SMILESCC1CN(S(C)(=O)=O)CCN1c1cc2cn(-c3cc(O)c(F)c(C(F)(F)F)c3)nc2cn1
InChIInChI=1S/C19H19F4N5O3S/c1-11-9-26(32(2,30)31)3-4-27(11)17-5-12-10-28(25-15(12)8-24-17)13-6-14(19(21,22)23)18(20)16(29)7-13/h5-8,10-11,29H,3-4,9H2,1-2H3
InChIKeyCLKBYSFDJVNCFK-UHFFFAOYSA-N
MW473.45 g/mol
LogP2.75
Rot. Bonds3

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

2-fluoro-5-[5-(2-methyl-4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]-3-(trifluoromethyl)phenol (PubChem CID 163233830) has the molecular formula C19H19F4N5O3S and a molecular weight of 473.45 g/mol. Its IUPAC name is 2-fluoro-5-[5-(2-methyl-4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-fluoro-5-[5-(2-methyl-4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]-3-(trifluoromethyl)phenol
PubChem CID163233830
Molecular FormulaC19H19F4N5O3S
Molecular Weight473.45 g/mol
Exact Mass473.11
IUPAC Name2-fluoro-5-[5-(2-methyl-4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]-3-(trifluoromethyl)phenol
SMILESCC1CN(S(C)(=O)=O)CCN1c1cc2cn(-c3cc(O)c(F)c(C(F)(F)F)c3)nc2cn1
InChIInChI=1S/C19H19F4N5O3S/c1-11-9-26(32(2,30)31)3-4-27(11)17-5-12-10-28(25-15(12)8-24-17)13-6-14(19(21,22)23)18(20)16(29)7-13/h5-8,10-11,29H,3-4,9H2,1-2H3
InChIKeyCLKBYSFDJVNCFK-UHFFFAOYSA-N
XLogP2.75
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-5-[5-(2-methyl-4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]-3-(trifluoromethyl)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-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
3-(5-(4-(Methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-5-(trifluoromethyl)phenol
CID 163233889
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-fluoro-5-[5-(2-methyl-4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]-3-(trifluoromethyl)phenol?
The IUPAC name of 2-fluoro-5-[5-(2-methyl-4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]-3-(trifluoromethyl)phenol (CID 163233830) is 2-fluoro-5-[5-(2-methyl-4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]-3-(trifluoromethyl)phenol.
What is the SMILES notation for 2-fluoro-5-[5-(2-methyl-4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]-3-(trifluoromethyl)phenol?
The canonical SMILES for 2-fluoro-5-[5-(2-methyl-4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]-3-(trifluoromethyl)phenol is CC1CN(S(C)(=O)=O)CCN1c1cc2cn(-c3cc(O)c(F)c(C(F)(F)F)c3)nc2cn1.
What is the InChIKey of 2-fluoro-5-[5-(2-methyl-4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]-3-(trifluoromethyl)phenol?
The InChIKey is CLKBYSFDJVNCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N5O3S/c1-11-9-26(32(2,30)31)3-4-27(11)17-5-12-10-28(25-15(12)8-24-17)13-6-14(19(21,22)23)18(20)16(29)7-13/h5-8,10-11,29H,3-4,9H2,1-2H3.
What are the key properties of 2-fluoro-5-[5-(2-methyl-4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]-3-(trifluoromethyl)phenol?
2-fluoro-5-[5-(2-methyl-4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]-3-(trifluoromethyl)phenol has a molecular weight of 473.45 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[5-(2-methyl-4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]-3-(trifluoromethyl)phenol is sourced from PubChem (CID 163233830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).