propan-2-yl 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

C20H36N6O4 — CID 177106669

IUPACpropan-2-yl 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)OC(=O)N1CCC(C2NOC(C3CNC4CNN(C5COC5)C4C3)N2)CC1
InChIInChI=1S/C20H36N6O4/c1-12(2)29-20(27)25-5-3-13(4-6-25)18-23-19(30-24-18)14-7-17-16(21-8-14)9-22-26(17)15-10-28-11-15/h12-19,21-24H,3-11H2,1-2H3
InChIKeyBTPSPYMSXQLTEY-UHFFFAOYSA-N
MW424.55 g/mol
LogP-0.41
Rot. Bonds4

About propan-2-yl 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

propan-2-yl 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 177106669) has the molecular formula C20H36N6O4 and a molecular weight of 424.55 g/mol. Its IUPAC name is propan-2-yl 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 Namepropan-2-yl 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 CID177106669
Molecular FormulaC20H36N6O4
Molecular Weight424.55 g/mol
Exact Mass424.28
IUPAC Namepropan-2-yl 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)OC(=O)N1CCC(C2NOC(C3CNC4CNN(C5COC5)C4C3)N2)CC1
InChIInChI=1S/C20H36N6O4/c1-12(2)29-20(27)25-5-3-13(4-6-25)18-23-19(30-24-18)14-7-17-16(21-8-14)9-22-26(17)15-10-28-11-15/h12-19,21-24H,3-11H2,1-2H3
InChIKeyBTPSPYMSXQLTEY-UHFFFAOYSA-N
XLogP-0.41
TPSA99.36 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze propan-2-yl 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

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Launch Full Analysis

Related Compounds

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
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
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
methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 154626016
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
2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]propan-1-one
CID 142573497
1-[4-[5-[4-(aminomethyl)-3-fluoro-5-(oxetan-3-ylamino)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 177106665
cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone
CID 148941330
1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 154625987
(1-methylcyclopropyl) 4-[5-[2-(3,3-difluoropyrrolidin-1-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 154626067
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 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 propan-2-yl 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 177106669) is propan-2-yl 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 propan-2-yl 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 propan-2-yl 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)OC(=O)N1CCC(C2NOC(C3CNC4CNN(C5COC5)C4C3)N2)CC1.
What is the InChIKey of propan-2-yl 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 BTPSPYMSXQLTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6O4/c1-12(2)29-20(27)25-5-3-13(4-6-25)18-23-19(30-24-18)14-7-17-16(21-8-14)9-22-26(17)15-10-28-11-15/h12-19,21-24H,3-11H2,1-2H3.
What are the key properties of propan-2-yl 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?
propan-2-yl 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 424.55 g/mol, XLogP of -0.41, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 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 177106669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).