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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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).