2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol

C18H19FN4O3S — CID 163234117

IUPAC2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol
SMILESCS(=O)(=O)N1CCN(c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)CC1
InChIInChI=1S/C18H19FN4O3S/c1-27(25,26)22-8-6-21(7-9-22)14-3-5-17-13(10-14)12-20-23(17)15-2-4-16(19)18(24)11-15/h2-5,10-12,24H,6-9H2,1H3
InChIKeySCRBDTDTQXKKGF-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.95
Rot. Bonds3

About 2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol

2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol (PubChem CID 163234117) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol.

Molecular Properties

Compound Name2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol
PubChem CID163234117
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC Name2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol
SMILESCS(=O)(=O)N1CCN(c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)CC1
InChIInChI=1S/C18H19FN4O3S/c1-27(25,26)22-8-6-21(7-9-22)14-3-5-17-13(10-14)12-20-23(17)15-2-4-16(19)18(24)11-15/h2-5,10-12,24H,6-9H2,1H3
InChIKeySCRBDTDTQXKKGF-UHFFFAOYSA-N
XLogP1.95
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US11787780, Example 70
CID 166916875
N-(2-(1-(4-Fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)phenyl)methanesulfonamide
CID 163233801
1-(3,4-Difluoro-5-hydroxyphenyl)-5-(4-(methylsulfonyl)piperazin-1-yl)-1H-indazole-6-carbonitrile
CID 163233844
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
2,3-Difluoro-5-(5-(piperidin-1-ylsulfonyl)-1H-indazol-1-yl)phenol
CID 163233931
1-(1-(3,4-Difluoro-5-hydroxyphenyl)-1H-indazol-5-yl)-N,N-dimethylazetidine-3-sulfonamide
CID 163233940
5-(3-Cyclopropyl-5-(4-(methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-2,3-difluorophenol
CID 163233943
2,3-Difluoro-5-(5-(3-(methylsulfonyl)azetidin-1-yl)-1H-indazol-1-yl)phenol
CID 163233956

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol?
The IUPAC name of 2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol (CID 163234117) is 2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol.
What is the SMILES notation for 2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol?
The canonical SMILES for 2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol is CS(=O)(=O)N1CCN(c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)CC1.
What is the InChIKey of 2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol?
The InChIKey is SCRBDTDTQXKKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c1-27(25,26)22-8-6-21(7-9-22)14-3-5-17-13(10-14)12-20-23(17)15-2-4-16(19)18(24)11-15/h2-5,10-12,24H,6-9H2,1H3.
What are the key properties of 2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol?
2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol has a molecular weight of 390.44 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol is sourced from PubChem (CID 163234117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).