methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

C19H20BrN5O4 — CID 137439580

IUPACmethyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2noc(-c3cc(Br)c4cnn(C5COC5)c4c3)n2)CC1
InChIInChI=1S/C19H20BrN5O4/c1-27-19(26)24-4-2-11(3-5-24)17-22-18(29-23-17)12-6-15(20)14-8-21-25(16(14)7-12)13-9-28-10-13/h6-8,11,13H,2-5,9-10H2,1H3
InChIKeyKOYHZXAFLFJZPF-UHFFFAOYSA-N
MW462.30 g/mol
LogP3.37
Rot. Bonds3

About methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 137439580) has the molecular formula C19H20BrN5O4 and a molecular weight of 462.30 g/mol. Its IUPAC name is methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
PubChem CID137439580
Molecular FormulaC19H20BrN5O4
Molecular Weight462.30 g/mol
Exact Mass461.07
IUPAC Namemethyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2noc(-c3cc(Br)c4cnn(C5COC5)c4c3)n2)CC1
InChIInChI=1S/C19H20BrN5O4/c1-27-19(26)24-4-2-11(3-5-24)17-22-18(29-23-17)12-6-15(20)14-8-21-25(16(14)7-12)13-9-28-10-13/h6-8,11,13H,2-5,9-10H2,1H3
InChIKeyKOYHZXAFLFJZPF-UHFFFAOYSA-N
XLogP3.37
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

(1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 134477842
2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 137439694
methyl 4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477500
methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 177289249
3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 142573668
(3-fluoro-2-pyridinyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 134477803
methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 159553532
tert-butyl (2S,4S)-2-methyl-4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439350
methyl 4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]-1,4-diazepane-1-carboxylate
CID 134477599
2-methyl-1-[(4R)-2-methyl-4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 137437820
tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439750
cyclopropyl 4-[5-[6-methanimidoyl-5-(oxetan-3-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 162304189

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 137439580) is methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is COC(=O)N1CCC(c2noc(-c3cc(Br)c4cnn(C5COC5)c4c3)n2)CC1.
What is the InChIKey of methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The InChIKey is KOYHZXAFLFJZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5O4/c1-27-19(26)24-4-2-11(3-5-24)17-22-18(29-23-17)12-6-15(20)14-8-21-25(16(14)7-12)13-9-28-10-13/h6-8,11,13H,2-5,9-10H2,1H3.
What are the key properties of methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 462.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 137439580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).