2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol

C24H29ClN4O4S — CID 170608129

IUPAC2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol
SMILESCc1ccc(S(=O)(=O)n2nc(N3CCN(C(C)(CO)CO)CC34CC4)c3c(Cl)cccc32)cc1
InChIInChI=1S/C24H29ClN4O4S/c1-17-6-8-18(9-7-17)34(32,33)29-20-5-3-4-19(25)21(20)22(26-29)28-13-12-27(14-24(28)10-11-24)23(2,15-30)16-31/h3-9,30-31H,10-16H2,1-2H3
InChIKeyUJJUXUANXZPYRI-UHFFFAOYSA-N
MW505.04 g/mol
LogP2.63
Rot. Bonds6

About 2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol

2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol (PubChem CID 170608129) has the molecular formula C24H29ClN4O4S and a molecular weight of 505.04 g/mol. Its IUPAC name is 2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol
PubChem CID170608129
Molecular FormulaC24H29ClN4O4S
Molecular Weight505.04 g/mol
Exact Mass504.16
IUPAC Name2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol
SMILESCc1ccc(S(=O)(=O)n2nc(N3CCN(C(C)(CO)CO)CC34CC4)c3c(Cl)cccc32)cc1
InChIInChI=1S/C24H29ClN4O4S/c1-17-6-8-18(9-7-17)34(32,33)29-20-5-3-4-19(25)21(20)22(26-29)28-13-12-27(14-24(28)10-11-24)23(2,15-30)16-31/h3-9,30-31H,10-16H2,1-2H3
InChIKeyUJJUXUANXZPYRI-UHFFFAOYSA-N
XLogP2.63
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.04
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol with MolForge

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Related Compounds

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4-chloro-1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-3-(5,5,7-trifluorospiro[2.4]heptan-7-yl)indazole
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5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide
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4-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
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4-[[6-chloro-5-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindazol-3-yl]-[(4-methoxyphenyl)methyl]amino]piperidine-1-carboxylic acid
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2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline
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2-(2,6-dichlorophenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
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4-[4-(2,6-dichlorophenoxy)butyl]-1-(4-methylphenyl)sulfonylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol (CID 170608129) is 2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol is Cc1ccc(S(=O)(=O)n2nc(N3CCN(C(C)(CO)CO)CC34CC4)c3c(Cl)cccc32)cc1.
What is the InChIKey of 2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol?
The InChIKey is UJJUXUANXZPYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O4S/c1-17-6-8-18(9-7-17)34(32,33)29-20-5-3-4-19(25)21(20)22(26-29)28-13-12-27(14-24(28)10-11-24)23(2,15-30)16-31/h3-9,30-31H,10-16H2,1-2H3.
What are the key properties of 2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol?
2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol has a molecular weight of 505.04 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 170608129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).