2-(5-chloro-6-fluoro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol

C16H19ClFN3O3S — CID 134373218

IUPAC2-(5-chloro-6-fluoro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol
SMILESCS(=O)(=O)N1CCC2(CC1)CC(O)(c1c(F)c(Cl)cc3cn[nH]c13)C2
InChIInChI=1S/C16H19ClFN3O3S/c1-25(23,24)21-4-2-15(3-5-21)8-16(22,9-15)12-13(18)11(17)6-10-7-19-20-14(10)12/h6-7,22H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyXRBVTJTZXYZXQA-UHFFFAOYSA-N
MW387.86 g/mol
LogP2.38
Rot. Bonds2

About 2-(5-chloro-6-fluoro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol

2-(5-chloro-6-fluoro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol (PubChem CID 134373218) has the molecular formula C16H19ClFN3O3S and a molecular weight of 387.86 g/mol. Its IUPAC name is 2-(5-chloro-6-fluoro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol.

Molecular Properties

Compound Name2-(5-chloro-6-fluoro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol
PubChem CID134373218
Molecular FormulaC16H19ClFN3O3S
Molecular Weight387.86 g/mol
Exact Mass387.08
IUPAC Name2-(5-chloro-6-fluoro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol
SMILESCS(=O)(=O)N1CCC2(CC1)CC(O)(c1c(F)c(Cl)cc3cn[nH]c13)C2
InChIInChI=1S/C16H19ClFN3O3S/c1-25(23,24)21-4-2-15(3-5-21)8-16(22,9-15)12-13(18)11(17)6-10-7-19-20-14(10)12/h6-7,22H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyXRBVTJTZXYZXQA-UHFFFAOYSA-N
XLogP2.38
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.86
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-6-fluoro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol with MolForge

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Related Compounds

(5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol
CID 134368040
1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 134373235
methyl 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate
CID 134373242
1-[4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone
CID 134373274
methyl 4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate
CID 134373281
1-(5-chloro-1H-indazol-7-yl)-2-(1-ethylsulfonylpiperidin-4-yl)-2,2-difluoroethanol
CID 134373282
[4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone
CID 134373287
1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 134373349
1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone
CID 134373385
tert-butyl 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate
CID 134373389
tert-butyl 4-[(1R)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate
CID 134373390
tert-butyl 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate
CID 134373413

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-fluoro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol?
The IUPAC name of 2-(5-chloro-6-fluoro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol (CID 134373218) is 2-(5-chloro-6-fluoro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol.
What is the SMILES notation for 2-(5-chloro-6-fluoro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol?
The canonical SMILES for 2-(5-chloro-6-fluoro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol is CS(=O)(=O)N1CCC2(CC1)CC(O)(c1c(F)c(Cl)cc3cn[nH]c13)C2.
What is the InChIKey of 2-(5-chloro-6-fluoro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol?
The InChIKey is XRBVTJTZXYZXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O3S/c1-25(23,24)21-4-2-15(3-5-21)8-16(22,9-15)12-13(18)11(17)6-10-7-19-20-14(10)12/h6-7,22H,2-5,8-9H2,1H3,(H,19,20).
What are the key properties of 2-(5-chloro-6-fluoro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol?
2-(5-chloro-6-fluoro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol has a molecular weight of 387.86 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-fluoro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol is sourced from PubChem (CID 134373218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).