2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol

C20H22F2N4O3S — CID 170685660

IUPAC2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol
SMILESCC(C)S(=O)(=O)N1CCN(c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)CC1
InChIInChI=1S/C20H22F2N4O3S/c1-13(2)30(28,29)25-7-5-24(6-8-25)15-3-4-18-14(9-15)12-23-26(18)16-10-17(21)20(22)19(27)11-16/h3-4,9-13,27H,5-8H2,1-2H3
InChIKeyDRRIXJCNMDZJKY-UHFFFAOYSA-N
MW436.48 g/mol
LogP2.87
Rot. Bonds4

About 2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol

2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol (PubChem CID 170685660) has the molecular formula C20H22F2N4O3S and a molecular weight of 436.48 g/mol. Its IUPAC name is 2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol.

Molecular Properties

Compound Name2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol
PubChem CID170685660
Molecular FormulaC20H22F2N4O3S
Molecular Weight436.48 g/mol
Exact Mass436.14
IUPAC Name2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol
SMILESCC(C)S(=O)(=O)N1CCN(c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)CC1
InChIInChI=1S/C20H22F2N4O3S/c1-13(2)30(28,29)25-7-5-24(6-8-25)15-3-4-18-14(9-15)12-23-26(18)16-10-17(21)20(22)19(27)11-16/h3-4,9-13,27H,5-8H2,1-2H3
InChIKeyDRRIXJCNMDZJKY-UHFFFAOYSA-N
XLogP2.87
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 52.87
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
2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol
CID 163234114
2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol
CID 163234389
5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol
CID 163233880
1-(4-fluoro-3-hydroxyphenyl)-5-(4-methylsulfonylpiperazin-1-yl)indole-2-carboxylic acid
CID 170685667
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole
CID 163234279
1-[3,4-difluoro-5-(methoxymethoxy)phenyl]-5-piperidin-1-ylsulfonylindazole
CID 163234009
5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol
CID 163233481
5-(5-bromoindazol-1-yl)-2-fluorophenol
CID 163234294
1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole
CID 166917314
2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidin-1-yl]-3-(trifluoromethyl)phenol
CID 163233885
1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone
CID 163234431

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol?
The IUPAC name of 2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol (CID 170685660) is 2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol.
What is the SMILES notation for 2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol?
The canonical SMILES for 2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol is CC(C)S(=O)(=O)N1CCN(c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)CC1.
What is the InChIKey of 2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol?
The InChIKey is DRRIXJCNMDZJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O3S/c1-13(2)30(28,29)25-7-5-24(6-8-25)15-3-4-18-14(9-15)12-23-26(18)16-10-17(21)20(22)19(27)11-16/h3-4,9-13,27H,5-8H2,1-2H3.
What are the key properties of 2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol?
2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol has a molecular weight of 436.48 g/mol, XLogP of 2.87, 4 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-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol is sourced from PubChem (CID 170685660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).