5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol

C21H22F2N4O3S — CID 163233943

IUPAC5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol
SMILESCS(=O)(=O)N1CCN(c2ccc3c(c2)c(C2CC2)nn3-c2cc(O)c(F)c(F)c2)CC1
InChIInChI=1S/C21H22F2N4O3S/c1-31(29,30)26-8-6-25(7-9-26)14-4-5-18-16(10-14)21(13-2-3-13)24-27(18)15-11-17(22)20(23)19(28)12-15/h4-5,10-13,28H,2-3,6-9H2,1H3
InChIKeyXEGNCZWHLMZJEX-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.97
Rot. Bonds4

About 5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol

5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol (PubChem CID 163233943) has the molecular formula C21H22F2N4O3S and a molecular weight of 448.50 g/mol. Its IUPAC name is 5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol.

Molecular Properties

Compound Name5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol
PubChem CID163233943
Molecular FormulaC21H22F2N4O3S
Molecular Weight448.50 g/mol
Exact Mass448.14
IUPAC Name5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol
SMILESCS(=O)(=O)N1CCN(c2ccc3c(c2)c(C2CC2)nn3-c2cc(O)c(F)c(F)c2)CC1
InChIInChI=1S/C21H22F2N4O3S/c1-31(29,30)26-8-6-25(7-9-26)14-4-5-18-16(10-14)21(13-2-3-13)24-27(18)15-11-17(22)20(23)19(28)12-15/h4-5,10-13,28H,2-3,6-9H2,1H3
InChIKeyXEGNCZWHLMZJEX-UHFFFAOYSA-N
XLogP2.97
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-(1-(4-Fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)phenyl)methanesulfonamide
CID 163233801
2,6-Difluoro-3-(4-fluoro-3-methyl-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-indazol-1-yl)-5-(trifluoromethyl)phenol
CID 163233816
2,6-Difluoro-3-(3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)-1H-indazol-1-yl)-5-(trifluoromethyl)phenol
CID 163233838
1-(3,4-Difluoro-5-hydroxyphenyl)-5-(4-(methylsulfonyl)piperazin-1-yl)-1H-indazole-6-carbonitrile
CID 163233844
2,6-Difluoro-3-(5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-3-(trifluoromethyl)-1H-indazol-1-yl)-5-(trifluoromethyl)phenol
CID 163233848
2-Fluoro-5-(6-fluoro-3-methyl-5-(7-(methylsulfonyl)-4,7-diazaspiro[2.5]octan-4-yl)-1H-indazol-1-yl)phenol
CID 163233853
5-(6-Chloro-5-(4-(methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-2,3-difluorophenol
CID 163233870
2,3-Difluoro-5-(5-(4-methoxypiperidin-1-yl)-1H-indazol-1-yl)phenol
CID 163233879
2-Fluoro-5-(5-(8-(methylsulfonyl)-5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazol-1-yl)-3-(trifluoromethyl)phenol
CID 163233881
3-(5-(4-(Methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-5-(trifluoromethyl)phenol
CID 163233889
3-(3-Cyclopropyl-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-indazol-1-yl)-2,6-difluoro-5-(trifluoromethyl)phenol
CID 163233904
1-(1-(3,4-Difluoro-5-hydroxyphenyl)-1H-indazol-5-yl)-N,N-dimethylazetidine-3-sulfonamide
CID 163233940

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol?
The IUPAC name of 5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol (CID 163233943) is 5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol.
What is the SMILES notation for 5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol?
The canonical SMILES for 5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol is CS(=O)(=O)N1CCN(c2ccc3c(c2)c(C2CC2)nn3-c2cc(O)c(F)c(F)c2)CC1.
What is the InChIKey of 5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol?
The InChIKey is XEGNCZWHLMZJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O3S/c1-31(29,30)26-8-6-25(7-9-26)14-4-5-18-16(10-14)21(13-2-3-13)24-27(18)15-11-17(22)20(23)19(28)12-15/h4-5,10-13,28H,2-3,6-9H2,1H3.
What are the key properties of 5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol?
5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol has a molecular weight of 448.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol is sourced from PubChem (CID 163233943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).