2-fluoro-5-[6-fluoro-3-methyl-5-(7-methylsulfonyl-4,7-diazaspiro[2.5]octan-4-yl)indazol-1-yl]phenol

C21H22F2N4O3S — CID 163233853

IUPAC2-fluoro-5-[6-fluoro-3-methyl-5-(7-methylsulfonyl-4,7-diazaspiro[2.5]octan-4-yl)indazol-1-yl]phenol
SMILESCc1nn(-c2ccc(F)c(O)c2)c2cc(F)c(N3CCN(S(C)(=O)=O)CC34CC4)cc12
InChIInChI=1S/C21H22F2N4O3S/c1-13-15-10-19(26-8-7-25(31(2,29)30)12-21(26)5-6-21)17(23)11-18(15)27(24-13)14-3-4-16(22)20(28)9-14/h3-4,9-11,28H,5-8,12H2,1-2H3
InChIKeySLBSZJMXXNPFJC-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.93
Rot. Bonds3

About 2-fluoro-5-[6-fluoro-3-methyl-5-(7-methylsulfonyl-4,7-diazaspiro[2.5]octan-4-yl)indazol-1-yl]phenol

2-fluoro-5-[6-fluoro-3-methyl-5-(7-methylsulfonyl-4,7-diazaspiro[2.5]octan-4-yl)indazol-1-yl]phenol (PubChem CID 163233853) has the molecular formula C21H22F2N4O3S and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-fluoro-5-[6-fluoro-3-methyl-5-(7-methylsulfonyl-4,7-diazaspiro[2.5]octan-4-yl)indazol-1-yl]phenol.

Molecular Properties

Compound Name2-fluoro-5-[6-fluoro-3-methyl-5-(7-methylsulfonyl-4,7-diazaspiro[2.5]octan-4-yl)indazol-1-yl]phenol
PubChem CID163233853
Molecular FormulaC21H22F2N4O3S
Molecular Weight448.50 g/mol
Exact Mass448.14
IUPAC Name2-fluoro-5-[6-fluoro-3-methyl-5-(7-methylsulfonyl-4,7-diazaspiro[2.5]octan-4-yl)indazol-1-yl]phenol
SMILESCc1nn(-c2ccc(F)c(O)c2)c2cc(F)c(N3CCN(S(C)(=O)=O)CC34CC4)cc12
InChIInChI=1S/C21H22F2N4O3S/c1-13-15-10-19(26-8-7-25(31(2,29)30)12-21(26)5-6-21)17(23)11-18(15)27(24-13)14-3-4-16(22)20(28)9-14/h3-4,9-11,28H,5-8,12H2,1-2H3
InChIKeySLBSZJMXXNPFJC-UHFFFAOYSA-N
XLogP2.93
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-5-[6-fluoro-3-methyl-5-(7-methylsulfonyl-4,7-diazaspiro[2.5]octan-4-yl)indazol-1-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[6-fluoro-3-methyl-5-(7-methylsulfonyl-4,7-diazaspiro[2.5]octan-4-yl)indazol-1-yl]phenol?
The IUPAC name of 2-fluoro-5-[6-fluoro-3-methyl-5-(7-methylsulfonyl-4,7-diazaspiro[2.5]octan-4-yl)indazol-1-yl]phenol (CID 163233853) is 2-fluoro-5-[6-fluoro-3-methyl-5-(7-methylsulfonyl-4,7-diazaspiro[2.5]octan-4-yl)indazol-1-yl]phenol.
What is the SMILES notation for 2-fluoro-5-[6-fluoro-3-methyl-5-(7-methylsulfonyl-4,7-diazaspiro[2.5]octan-4-yl)indazol-1-yl]phenol?
The canonical SMILES for 2-fluoro-5-[6-fluoro-3-methyl-5-(7-methylsulfonyl-4,7-diazaspiro[2.5]octan-4-yl)indazol-1-yl]phenol is Cc1nn(-c2ccc(F)c(O)c2)c2cc(F)c(N3CCN(S(C)(=O)=O)CC34CC4)cc12.
What is the InChIKey of 2-fluoro-5-[6-fluoro-3-methyl-5-(7-methylsulfonyl-4,7-diazaspiro[2.5]octan-4-yl)indazol-1-yl]phenol?
The InChIKey is SLBSZJMXXNPFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O3S/c1-13-15-10-19(26-8-7-25(31(2,29)30)12-21(26)5-6-21)17(23)11-18(15)27(24-13)14-3-4-16(22)20(28)9-14/h3-4,9-11,28H,5-8,12H2,1-2H3.
What are the key properties of 2-fluoro-5-[6-fluoro-3-methyl-5-(7-methylsulfonyl-4,7-diazaspiro[2.5]octan-4-yl)indazol-1-yl]phenol?
2-fluoro-5-[6-fluoro-3-methyl-5-(7-methylsulfonyl-4,7-diazaspiro[2.5]octan-4-yl)indazol-1-yl]phenol has a molecular weight of 448.50 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[6-fluoro-3-methyl-5-(7-methylsulfonyl-4,7-diazaspiro[2.5]octan-4-yl)indazol-1-yl]phenol is sourced from PubChem (CID 163233853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).