9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane

C17H23ClN4O2S — CID 121326143

IUPAC9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane
SMILESCS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1
InChIInChI=1S/C17H23ClN4O2S/c1-25(23,24)22-8-4-17(5-9-22)2-6-21(7-3-17)16-11-13(18)10-15-14(16)12-19-20-15/h10-12H,2-9H2,1H3,(H,19,20)
InChIKeyWWFOUOIQBVBUCZ-UHFFFAOYSA-N
MW382.92 g/mol
LogP2.86
Rot. Bonds2

About 9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane

9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane (PubChem CID 121326143) has the molecular formula C17H23ClN4O2S and a molecular weight of 382.92 g/mol. Its IUPAC name is 9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane
PubChem CID121326143
Molecular FormulaC17H23ClN4O2S
Molecular Weight382.92 g/mol
Exact Mass382.12
IUPAC Name9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane
SMILESCS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1
InChIInChI=1S/C17H23ClN4O2S/c1-25(23,24)22-8-4-17(5-9-22)2-6-21(7-3-17)16-11-13(18)10-15-14(16)12-19-20-15/h10-12H,2-9H2,1H3,(H,19,20)
InChIKeyWWFOUOIQBVBUCZ-UHFFFAOYSA-N
XLogP2.86
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.92
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane (CID 121326143) is 9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane is CS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1.
What is the InChIKey of 9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane?
The InChIKey is WWFOUOIQBVBUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2S/c1-25(23,24)22-8-4-17(5-9-22)2-6-21(7-3-17)16-11-13(18)10-15-14(16)12-19-20-15/h10-12H,2-9H2,1H3,(H,19,20).
What are the key properties of 9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane?
9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane has a molecular weight of 382.92 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 121326143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).