1-(4-fluorophenyl)-6-methyl-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole

C21H23FN4O2S — CID 166916138

IUPAC1-(4-fluorophenyl)-6-methyl-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(C)(=O)=O)C2(CC2)C1
InChIInChI=1S/C21H23FN4O2S/c1-15-11-20-16(13-23-26(20)18-5-3-17(22)4-6-18)12-19(15)24-9-10-25(29(2,27)28)21(14-24)7-8-21/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyRLMXGHHCDKBLFP-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.09
Rot. Bonds3

About 1-(4-fluorophenyl)-6-methyl-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole

1-(4-fluorophenyl)-6-methyl-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole (PubChem CID 166916138) has the molecular formula C21H23FN4O2S and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole
PubChem CID166916138
Molecular FormulaC21H23FN4O2S
Molecular Weight414.51 g/mol
Exact Mass414.15
IUPAC Name1-(4-fluorophenyl)-6-methyl-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(C)(=O)=O)C2(CC2)C1
InChIInChI=1S/C21H23FN4O2S/c1-15-11-20-16(13-23-26(20)18-5-3-17(22)4-6-18)12-19(15)24-9-10-25(29(2,27)28)21(14-24)7-8-21/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyRLMXGHHCDKBLFP-UHFFFAOYSA-N
XLogP3.09
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-6-methyl-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole 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 1-(4-fluorophenyl)-6-methyl-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole (CID 166916138) is 1-(4-fluorophenyl)-6-methyl-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(C)(=O)=O)C2(CC2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole?
The InChIKey is RLMXGHHCDKBLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2S/c1-15-11-20-16(13-23-26(20)18-5-3-17(22)4-6-18)12-19(15)24-9-10-25(29(2,27)28)21(14-24)7-8-21/h3-6,11-13H,7-10,14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole?
1-(4-fluorophenyl)-6-methyl-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole has a molecular weight of 414.51 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methyl-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole is sourced from PubChem (CID 166916138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).