methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate

C13H14FN3O2 — CID 129166208

IUPACmethyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate
SMILESCOC(=O)c1cc2c(C)nn(C3CNC3)c2cc1F
InChIInChI=1S/C13H14FN3O2/c1-7-9-3-10(13(18)19-2)11(14)4-12(9)17(16-7)8-5-15-6-8/h3-4,8,15H,5-6H2,1-2H3
InChIKeyOUXDZYRMLCVATN-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.41
Rot. Bonds2

About methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate

methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate (PubChem CID 129166208) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate
PubChem CID129166208
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Namemethyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate
SMILESCOC(=O)c1cc2c(C)nn(C3CNC3)c2cc1F
InChIInChI=1S/C13H14FN3O2/c1-7-9-3-10(13(18)19-2)11(14)4-12(9)17(16-7)8-5-15-6-8/h3-4,8,15H,5-6H2,1-2H3
InChIKeyOUXDZYRMLCVATN-UHFFFAOYSA-N
XLogP1.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylate
CID 129166201
methyl 1-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-6-fluoro-3-methylindazole-5-carboxylate
CID 129166119
6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide
CID 129177714
6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide
CID 129166079
methyl 3-bromo-6-fluoro-1-methylindole-5-carboxylate
CID 137376226
methyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate
CID 167351144
methyl 1-cyclopropyl-6-fluoro-2-pyridin-2-ylbenzimidazole-5-carboxylate
CID 175838523
methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate
CID 130343964
methyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate
CID 131513265
methyl 3-carbonochloridoyl-5-fluoro-1-methylindole-6-carboxylate
CID 170653116
1-[1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-cyclopropylsulfonyl-6-fluoro-3-methylindazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 129166252
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175

Frequently Asked Questions

What is the IUPAC name of methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate?
The IUPAC name of methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate (CID 129166208) is methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate.
What is the SMILES notation for methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate?
The canonical SMILES for methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate is COC(=O)c1cc2c(C)nn(C3CNC3)c2cc1F.
What is the InChIKey of methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate?
The InChIKey is OUXDZYRMLCVATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-7-9-3-10(13(18)19-2)11(14)4-12(9)17(16-7)8-5-15-6-8/h3-4,8,15H,5-6H2,1-2H3.
What are the key properties of methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate?
methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate has a molecular weight of 263.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate is sourced from PubChem (CID 129166208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).