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

C19H20F2N4O3S — CID 163234071

IUPAC2,3-difluoro-5-[4-methyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol
SMILESCc1c(N2CCN(S(C)(=O)=O)CC2)ccc2c1cnn2-c1cc(O)c(F)c(F)c1
InChIInChI=1S/C19H20F2N4O3S/c1-12-14-11-22-25(13-9-15(20)19(21)18(26)10-13)17(14)4-3-16(12)23-5-7-24(8-6-23)29(2,27)28/h3-4,9-11,26H,5-8H2,1-2H3
InChIKeyMBAGVXXSRXJHFP-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.40
Rot. Bonds3

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

2,3-difluoro-5-[4-methyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol (PubChem CID 163234071) has the molecular formula C19H20F2N4O3S and a molecular weight of 422.46 g/mol. Its IUPAC name is 2,3-difluoro-5-[4-methyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol.

Molecular Properties

Compound Name2,3-difluoro-5-[4-methyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol
PubChem CID163234071
Molecular FormulaC19H20F2N4O3S
Molecular Weight422.46 g/mol
Exact Mass422.12
IUPAC Name2,3-difluoro-5-[4-methyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol
SMILESCc1c(N2CCN(S(C)(=O)=O)CC2)ccc2c1cnn2-c1cc(O)c(F)c(F)c1
InChIInChI=1S/C19H20F2N4O3S/c1-12-14-11-22-25(13-9-15(20)19(21)18(26)10-13)17(14)4-3-16(12)23-5-7-24(8-6-23)29(2,27)28/h3-4,9-11,26H,5-8H2,1-2H3
InChIKeyMBAGVXXSRXJHFP-UHFFFAOYSA-N
XLogP2.40
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-[4-methyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol?
The IUPAC name of 2,3-difluoro-5-[4-methyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol (CID 163234071) is 2,3-difluoro-5-[4-methyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol.
What is the SMILES notation for 2,3-difluoro-5-[4-methyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol?
The canonical SMILES for 2,3-difluoro-5-[4-methyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol is Cc1c(N2CCN(S(C)(=O)=O)CC2)ccc2c1cnn2-c1cc(O)c(F)c(F)c1.
What is the InChIKey of 2,3-difluoro-5-[4-methyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol?
The InChIKey is MBAGVXXSRXJHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3S/c1-12-14-11-22-25(13-9-15(20)19(21)18(26)10-13)17(14)4-3-16(12)23-5-7-24(8-6-23)29(2,27)28/h3-4,9-11,26H,5-8H2,1-2H3.
What are the key properties of 2,3-difluoro-5-[4-methyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol?
2,3-difluoro-5-[4-methyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol has a molecular weight of 422.46 g/mol, XLogP of 2.40, 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-[4-methyl-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]phenol is sourced from PubChem (CID 163234071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).