tert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

C21H30N6O4 — CID 137439268

IUPACtert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2noc(N3CCc4nn(C5COC5)cc4C3)n2)CC1
InChIInChI=1S/C21H30N6O4/c1-21(2,3)30-20(28)25-7-4-14(5-8-25)18-22-19(31-24-18)26-9-6-17-15(10-26)11-27(23-17)16-12-29-13-16/h11,14,16H,4-10,12-13H2,1-3H3
InChIKeySDJYSPQZLKHGJD-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.51
Rot. Bonds3

About tert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

tert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 137439268) has the molecular formula C21H30N6O4 and a molecular weight of 430.51 g/mol. Its IUPAC name is tert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
PubChem CID137439268
Molecular FormulaC21H30N6O4
Molecular Weight430.51 g/mol
Exact Mass430.23
IUPAC Nametert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2noc(N3CCc4nn(C5COC5)cc4C3)n2)CC1
InChIInChI=1S/C21H30N6O4/c1-21(2,3)30-20(28)25-7-4-14(5-8-25)18-22-19(31-24-18)26-9-6-17-15(10-26)11-27(23-17)16-12-29-13-16/h11,14,16H,4-10,12-13H2,1-3H3
InChIKeySDJYSPQZLKHGJD-UHFFFAOYSA-N
XLogP2.51
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 137439704
tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439750
methyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 155066846
tert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 155066830
tert-butyl 1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 158182468
tert-butyl 4-[4-(oxetan-3-yl)piperazin-1-yl]piperidine-1-carboxylate
CID 146498115
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-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 55950542
tert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 137439497
tert-butyl 2-(1-phenylmethoxycarbonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 151124795
tert-butyl 2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 86767357
methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
CID 67460578

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 137439268) is tert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2noc(N3CCc4nn(C5COC5)cc4C3)n2)CC1.
What is the InChIKey of tert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The InChIKey is SDJYSPQZLKHGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O4/c1-21(2,3)30-20(28)25-7-4-14(5-8-25)18-22-19(31-24-18)26-9-6-17-15(10-26)11-27(23-17)16-12-29-13-16/h11,14,16H,4-10,12-13H2,1-3H3.
What are the key properties of tert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 430.51 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 137439268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).