2,6-difluoro-3-[3-methyl-5-(1-methylsulfonyl-1,4-diazaspiro[5.5]undecan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-5-(trifluoromethyl)phenol

C24H26F5N5O3S — CID 163233969

IUPAC2,6-difluoro-3-[3-methyl-5-(1-methylsulfonyl-1,4-diazaspiro[5.5]undecan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-5-(trifluoromethyl)phenol
SMILESCc1nn(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2cnc(N3CCN(S(C)(=O)=O)C4(CCCCC4)C3)cc12
InChIInChI=1S/C24H26F5N5O3S/c1-14-15-10-19(32-8-9-33(38(2,36)37)23(13-32)6-4-3-5-7-23)30-12-18(15)34(31-14)17-11-16(24(27,28)29)20(25)22(35)21(17)26/h10-12,35H,3-9,13H2,1-2H3
InChIKeyGGHRONKUZRMCNA-UHFFFAOYSA-N
MW559.56 g/mol
LogP4.52
Rot. Bonds3

About 2,6-difluoro-3-[3-methyl-5-(1-methylsulfonyl-1,4-diazaspiro[5.5]undecan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-5-(trifluoromethyl)phenol

2,6-difluoro-3-[3-methyl-5-(1-methylsulfonyl-1,4-diazaspiro[5.5]undecan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-5-(trifluoromethyl)phenol (PubChem CID 163233969) has the molecular formula C24H26F5N5O3S and a molecular weight of 559.56 g/mol. Its IUPAC name is 2,6-difluoro-3-[3-methyl-5-(1-methylsulfonyl-1,4-diazaspiro[5.5]undecan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2,6-difluoro-3-[3-methyl-5-(1-methylsulfonyl-1,4-diazaspiro[5.5]undecan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-5-(trifluoromethyl)phenol
PubChem CID163233969
Molecular FormulaC24H26F5N5O3S
Molecular Weight559.56 g/mol
Exact Mass559.17
IUPAC Name2,6-difluoro-3-[3-methyl-5-(1-methylsulfonyl-1,4-diazaspiro[5.5]undecan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-5-(trifluoromethyl)phenol
SMILESCc1nn(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2cnc(N3CCN(S(C)(=O)=O)C4(CCCCC4)C3)cc12
InChIInChI=1S/C24H26F5N5O3S/c1-14-15-10-19(32-8-9-33(38(2,36)37)23(13-32)6-4-3-5-7-23)30-12-18(15)34(31-14)17-11-16(24(27,28)29)20(25)22(35)21(17)26/h10-12,35H,3-9,13H2,1-2H3
InChIKeyGGHRONKUZRMCNA-UHFFFAOYSA-N
XLogP4.52
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.56
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,6-difluoro-3-[3-methyl-5-(1-methylsulfonyl-1,4-diazaspiro[5.5]undecan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-5-(trifluoromethyl)phenol with MolForge

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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-[3-methyl-5-(1-methylsulfonyl-1,4-diazaspiro[5.5]undecan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2,6-difluoro-3-[3-methyl-5-(1-methylsulfonyl-1,4-diazaspiro[5.5]undecan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-5-(trifluoromethyl)phenol (CID 163233969) is 2,6-difluoro-3-[3-methyl-5-(1-methylsulfonyl-1,4-diazaspiro[5.5]undecan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2,6-difluoro-3-[3-methyl-5-(1-methylsulfonyl-1,4-diazaspiro[5.5]undecan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2,6-difluoro-3-[3-methyl-5-(1-methylsulfonyl-1,4-diazaspiro[5.5]undecan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-5-(trifluoromethyl)phenol is Cc1nn(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2cnc(N3CCN(S(C)(=O)=O)C4(CCCCC4)C3)cc12.
What is the InChIKey of 2,6-difluoro-3-[3-methyl-5-(1-methylsulfonyl-1,4-diazaspiro[5.5]undecan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-5-(trifluoromethyl)phenol?
The InChIKey is GGHRONKUZRMCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F5N5O3S/c1-14-15-10-19(32-8-9-33(38(2,36)37)23(13-32)6-4-3-5-7-23)30-12-18(15)34(31-14)17-11-16(24(27,28)29)20(25)22(35)21(17)26/h10-12,35H,3-9,13H2,1-2H3.
What are the key properties of 2,6-difluoro-3-[3-methyl-5-(1-methylsulfonyl-1,4-diazaspiro[5.5]undecan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-5-(trifluoromethyl)phenol?
2,6-difluoro-3-[3-methyl-5-(1-methylsulfonyl-1,4-diazaspiro[5.5]undecan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-5-(trifluoromethyl)phenol has a molecular weight of 559.56 g/mol, XLogP of 4.52, 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-[3-methyl-5-(1-methylsulfonyl-1,4-diazaspiro[5.5]undecan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 163233969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).