2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol

C19H17F5N4O3S — CID 163234114

IUPAC2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol
SMILESCS(=O)(=O)N1CCN(c2cc3cnn(-c4cc(O)c(F)c(F)c4)c3cc2C(F)(F)F)CC1
InChIInChI=1S/C19H17F5N4O3S/c1-32(30,31)27-4-2-26(3-5-27)16-6-11-10-25-28(15(11)9-13(16)19(22,23)24)12-7-14(20)18(21)17(29)8-12/h6-10,29H,2-5H2,1H3
InChIKeyPIYLUTLVUMHOPD-UHFFFAOYSA-N
MW476.43 g/mol
LogP3.11
Rot. Bonds3

About 2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol

2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol (PubChem CID 163234114) has the molecular formula C19H17F5N4O3S and a molecular weight of 476.43 g/mol. Its IUPAC name is 2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol.

Molecular Properties

Compound Name2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol
PubChem CID163234114
Molecular FormulaC19H17F5N4O3S
Molecular Weight476.43 g/mol
Exact Mass476.09
IUPAC Name2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol
SMILESCS(=O)(=O)N1CCN(c2cc3cnn(-c4cc(O)c(F)c(F)c4)c3cc2C(F)(F)F)CC1
InChIInChI=1S/C19H17F5N4O3S/c1-32(30,31)27-4-2-26(3-5-27)16-6-11-10-25-28(15(11)9-13(16)19(22,23)24)12-7-14(20)18(21)17(29)8-12/h6-10,29H,2-5H2,1H3
InChIKeyPIYLUTLVUMHOPD-UHFFFAOYSA-N
XLogP3.11
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol
CID 163233870
2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidin-1-yl]-3-(trifluoromethyl)phenol
CID 163233885
2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol
CID 163234389
2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol
CID 170685660
5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol
CID 163234247
2-fluoro-5-[1-methyl-6-(4-methylsulfonylpiperazin-1-yl)indazol-3-yl]-3-(trifluoromethyl)phenol
CID 171048612
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole
CID 163234279
5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol
CID 163233481
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]methanesulfonamide
CID 166916424
3-[5-[(2R)-2-benzyl-4-methylsulfonylpiperazin-1-yl]pyrazolo[3,4-c]pyridin-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol
CID 167518652
1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide
CID 163977915
1-(4-fluoro-3-hydroxyphenyl)-5-(4-methylsulfonylpiperazin-1-yl)indole-2-carboxylic acid
CID 170685667

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol?
The IUPAC name of 2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol (CID 163234114) is 2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol.
What is the SMILES notation for 2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol?
The canonical SMILES for 2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol is CS(=O)(=O)N1CCN(c2cc3cnn(-c4cc(O)c(F)c(F)c4)c3cc2C(F)(F)F)CC1.
What is the InChIKey of 2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol?
The InChIKey is PIYLUTLVUMHOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N4O3S/c1-32(30,31)27-4-2-26(3-5-27)16-6-11-10-25-28(15(11)9-13(16)19(22,23)24)12-7-14(20)18(21)17(29)8-12/h6-10,29H,2-5H2,1H3.
What are the key properties of 2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol?
2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol has a molecular weight of 476.43 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol is sourced from PubChem (CID 163234114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).