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

C21H23FN4O3S — CID 166916875

IUPAC1-(4-fluorophenyl)-6-methoxy-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole
SMILESCOc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(C)(=O)=O)C2(CC2)C1
InChIInChI=1S/C21H23FN4O3S/c1-29-20-12-18-15(13-23-26(18)17-5-3-16(22)4-6-17)11-19(20)24-9-10-25(30(2,27)28)21(14-24)7-8-21/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyLKQOYIBNOGOZLX-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.79
Rot. Bonds4

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

1-(4-fluorophenyl)-6-methoxy-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole (PubChem CID 166916875) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methoxy-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methoxy-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole
PubChem CID166916875
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC Name1-(4-fluorophenyl)-6-methoxy-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole
SMILESCOc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(C)(=O)=O)C2(CC2)C1
InChIInChI=1S/C21H23FN4O3S/c1-29-20-12-18-15(13-23-26(18)17-5-3-16(22)4-6-17)11-19(20)24-9-10-25(30(2,27)28)21(14-24)7-8-21/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyLKQOYIBNOGOZLX-UHFFFAOYSA-N
XLogP2.79
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Fluoro-5-(6-fluoro-3-methyl-5-(7-(methylsulfonyl)-4,7-diazaspiro[2.5]octan-4-yl)-1H-indazol-1-yl)phenol
CID 163233853
2-Fluoro-5-(5-(8-(methylsulfonyl)-5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazol-1-yl)-3-(trifluoromethyl)phenol
CID 163233881
3-(5-(4-(Methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-5-(trifluoromethyl)phenol
CID 163233889
2-Fluoro-5-(6-fluoro-5-(4-(methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-3-(trifluoromethyl)phenol
CID 163234015
5-(5-(3,3-Dimethyl-4-(methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-2,3-difluorophenol
CID 163234042
2,3-Difluoro-5-(4-methyl-5-(4-(methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)phenol
CID 163234071
2,3-Difluoro-5-(5-(4-(methylsulfonyl)piperazin-1-yl)-6-(trifluoromethyl)-1H-indazol-1-yl)phenol
CID 163234114
2-Fluoro-5-(5-(4-(methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)phenol
CID 163234117
2,3-Difluoro-5-(6-fluoro-5-(4-(methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)phenol
CID 163234136
5-(6-Cyclopropyl-5-(4-(methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-2,3-difluorophenol
CID 163234153
5-(5-(4-(Benzylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-2,3-difluorophenol
CID 163234173
2-Fluoro-5-methyl-3-(5-(4-(methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)phenol
CID 163234238

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methoxy-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole?
The IUPAC name of 1-(4-fluorophenyl)-6-methoxy-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole (CID 166916875) is 1-(4-fluorophenyl)-6-methoxy-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methoxy-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methoxy-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole is COc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(C)(=O)=O)C2(CC2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methoxy-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole?
The InChIKey is LKQOYIBNOGOZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c1-29-20-12-18-15(13-23-26(18)17-5-3-16(22)4-6-17)11-19(20)24-9-10-25(30(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-methoxy-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole?
1-(4-fluorophenyl)-6-methoxy-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole has a molecular weight of 430.51 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methoxy-5-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)indazole is sourced from PubChem (CID 166916875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).