tert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate

C17H21FN4O3 — CID 167187799

IUPACtert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate
SMILESCn1nccc1-c1cc(OC2CN(C(=O)OC(C)(C)C)C2)c(F)cn1
InChIInChI=1S/C17H21FN4O3/c1-17(2,3)25-16(23)22-9-11(10-22)24-15-7-13(19-8-12(15)18)14-5-6-20-21(14)4/h5-8,11H,9-10H2,1-4H3
InChIKeyVFWJFSITKJUJIS-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.62
Rot. Bonds3

About tert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate

tert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate (PubChem CID 167187799) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is tert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate
PubChem CID167187799
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Nametert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate
SMILESCn1nccc1-c1cc(OC2CN(C(=O)OC(C)(C)C)C2)c(F)cn1
InChIInChI=1S/C17H21FN4O3/c1-17(2,3)25-16(23)22-9-11(10-22)24-15-7-13(19-8-12(15)18)14-5-6-20-21(14)4/h5-8,11H,9-10H2,1-4H3
InChIKeyVFWJFSITKJUJIS-UHFFFAOYSA-N
XLogP2.62
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-(2,4,5-trifluorophenoxy)azetidine-1-carboxylate
CID 24902669
tert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate
CID 176913405
3-fluoro-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypyridine-2-carboxylic acid
CID 170311145
tert-butyl 3-(2,3,6-trifluorophenoxy)azetidine-1-carboxylate
CID 24902667
tert-butyl 3-[[2-(4-ethylsulfonyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-4-pyridinyl]oxy]azetidine-1-carboxylate
CID 170540613
tert-butyl 3-[[6-bromo-4-(trifluoromethyl)-3-pyridinyl]oxy]azetidine-1-carboxylate
CID 164905364
3-(3,4-difluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxybenzoic acid
CID 122623246
tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate
CID 58180454
tert-butyl 3-(4-bromo-2,6-difluorophenoxy)azetidine-1-carboxylate;ethane
CID 142405797
tert-butyl 3-(5-chloro-2-iodophenoxy)azetidine-1-carboxylate
CID 175686853
[3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
CID 167187511
tert-butyl 3-[(3-isothiocyanato-4-pyridinyl)oxy]azetidine-1-carboxylate
CID 89157826

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate (CID 167187799) is tert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate is Cn1nccc1-c1cc(OC2CN(C(=O)OC(C)(C)C)C2)c(F)cn1.
What is the InChIKey of tert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate?
The InChIKey is VFWJFSITKJUJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-17(2,3)25-16(23)22-9-11(10-22)24-15-7-13(19-8-12(15)18)14-5-6-20-21(14)4/h5-8,11H,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate?
tert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate has a molecular weight of 348.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]azetidine-1-carboxylate is sourced from PubChem (CID 167187799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).