5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol

C17H17F2N5O3S — CID 163233481

IUPAC5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol
SMILESCS(=O)(=O)N1CCN(c2ccc(-n3ncc4cc(F)c(O)c(F)c43)nc2)CC1
InChIInChI=1S/C17H17F2N5O3S/c1-28(26,27)23-6-4-22(5-7-23)12-2-3-14(20-10-12)24-16-11(9-21-24)8-13(18)17(25)15(16)19/h2-3,8-10,25H,4-7H2,1H3
InChIKeyODVCULTXTDCAMH-UHFFFAOYSA-N
MW409.42 g/mol
LogP1.49
Rot. Bonds3

About 5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol

5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol (PubChem CID 163233481) has the molecular formula C17H17F2N5O3S and a molecular weight of 409.42 g/mol. Its IUPAC name is 5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol.

Molecular Properties

Compound Name5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol
PubChem CID163233481
Molecular FormulaC17H17F2N5O3S
Molecular Weight409.42 g/mol
Exact Mass409.10
IUPAC Name5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol
SMILESCS(=O)(=O)N1CCN(c2ccc(-n3ncc4cc(F)c(O)c(F)c43)nc2)CC1
InChIInChI=1S/C17H17F2N5O3S/c1-28(26,27)23-6-4-22(5-7-23)12-2-3-14(20-10-12)24-16-11(9-21-24)8-13(18)17(25)15(16)19/h2-3,8-10,25H,4-7H2,1H3
InChIKeyODVCULTXTDCAMH-UHFFFAOYSA-N
XLogP1.49
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol?
The IUPAC name of 5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol (CID 163233481) is 5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol.
What is the SMILES notation for 5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol?
The canonical SMILES for 5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol is CS(=O)(=O)N1CCN(c2ccc(-n3ncc4cc(F)c(O)c(F)c43)nc2)CC1.
What is the InChIKey of 5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol?
The InChIKey is ODVCULTXTDCAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O3S/c1-28(26,27)23-6-4-22(5-7-23)12-2-3-14(20-10-12)24-16-11(9-21-24)8-13(18)17(25)15(16)19/h2-3,8-10,25H,4-7H2,1H3.
What are the key properties of 5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol?
5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol has a molecular weight of 409.42 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol is sourced from PubChem (CID 163233481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).