tert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate

C21H38N6O4 — CID 177106667

IUPACtert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2NOC(C3CNC4CNN(C5COC5)C4C3)N2)CC1
InChIInChI=1S/C21H38N6O4/c1-21(2,3)30-20(28)26-6-4-13(5-7-26)18-24-19(31-25-18)14-8-17-16(22-9-14)10-23-27(17)15-11-29-12-15/h13-19,22-25H,4-12H2,1-3H3
InChIKeyICYBYVFIQDBRHN-UHFFFAOYSA-N
MW438.57 g/mol
LogP-0.02
Rot. Bonds3

About tert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate

tert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate (PubChem CID 177106667) has the molecular formula C21H38N6O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is tert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
PubChem CID177106667
Molecular FormulaC21H38N6O4
Molecular Weight438.57 g/mol
Exact Mass438.30
IUPAC Nametert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2NOC(C3CNC4CNN(C5COC5)C4C3)N2)CC1
InChIInChI=1S/C21H38N6O4/c1-21(2,3)30-20(28)26-6-4-13(5-7-26)18-24-19(31-25-18)14-8-17-16(22-9-14)10-23-27(17)15-11-29-12-15/h13-19,22-25H,4-12H2,1-3H3
InChIKeyICYBYVFIQDBRHN-UHFFFAOYSA-N
XLogP-0.02
TPSA99.36 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[5-[1-[(3R)-oxolan-3-yl]-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 154626013
tert-butyl 4-[5-[5-methyl-1-(oxetan-3-yl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 154626066
methyl 4-[5-[4-fluoro-1-(oxolan-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 154626002
(1-methylcyclopropyl) 4-[5-[1-(oxetan-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrazolo[3,4-c]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 154625986
tert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 152794763
tert-butyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate;tert-butyl (1R,6S)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate
CID 86222703
tert-butyl 4-[2-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethyl]piperidine-1-carboxylate
CID 156856654
tert-butyl 4-[4-(oxetan-3-yl)piperazin-1-yl]piperidine-1-carboxylate
CID 146498115
tert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate
CID 124647050
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate
CID 125461872
tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
CID 97300200

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate (CID 177106667) is tert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2NOC(C3CNC4CNN(C5COC5)C4C3)N2)CC1.
What is the InChIKey of tert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate?
The InChIKey is ICYBYVFIQDBRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N6O4/c1-21(2,3)30-20(28)26-6-4-13(5-7-26)18-24-19(31-25-18)14-8-17-16(22-9-14)10-23-27(17)15-11-29-12-15/h13-19,22-25H,4-12H2,1-3H3.
What are the key properties of tert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate has a molecular weight of 438.57 g/mol, XLogP of -0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 177106667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).