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

C21H24N6O4 — CID 137439707

IUPACmethyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2noc(-c3ccc4cn(C5CCN(C)C5=O)nc4c3)n2)CC1
InChIInChI=1S/C21H24N6O4/c1-25-8-7-17(20(25)28)27-12-15-4-3-14(11-16(15)23-27)19-22-18(24-31-19)13-5-9-26(10-6-13)21(29)30-2/h3-4,11-13,17H,5-10H2,1-2H3
InChIKeyOXXXLJOBZODHOQ-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.44
Rot. Bonds3

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

methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 137439707) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
PubChem CID137439707
Molecular FormulaC21H24N6O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Namemethyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2noc(-c3ccc4cn(C5CCN(C)C5=O)nc4c3)n2)CC1
InChIInChI=1S/C21H24N6O4/c1-25-8-7-17(20(25)28)27-12-15-4-3-14(11-16(15)23-27)19-22-18(24-31-19)13-5-9-26(10-6-13)21(29)30-2/h3-4,11-13,17H,5-10H2,1-2H3
InChIKeyOXXXLJOBZODHOQ-UHFFFAOYSA-N
XLogP2.44
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 142573524
methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 159553532
methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 177289249
(1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 134477842
(1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439638
methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439580
tert-butyl 4-[3-[2-(1-acetylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477535
tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439750
(1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 142573575
tert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 137439497
1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 46389291
1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 53121854

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 137439707) is methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is COC(=O)N1CCC(c2noc(-c3ccc4cn(C5CCN(C)C5=O)nc4c3)n2)CC1.
What is the InChIKey of methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The InChIKey is OXXXLJOBZODHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4/c1-25-8-7-17(20(25)28)27-12-15-4-3-14(11-16(15)23-27)19-22-18(24-31-19)13-5-9-26(10-6-13)21(29)30-2/h3-4,11-13,17H,5-10H2,1-2H3.
What are the key properties of methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 424.46 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 137439707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).