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Tert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate

C24H33N7O4 — CID 137025777

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(=O)[nH]c3c(-c4nnc(CN5CCCCC5)o4)cnn23)CC1
InChIInChI=1S/C24H33N7O4/c1-24(2,3)35-23(33)30-11-7-16(8-12-30)18-13-19(32)26-21-17(14-25-31(18)21)22-28-27-20(34-22)15-29-9-5-4-6-10-29/h13-14,16H,4-12,15H2,1-3H3,(H,26,32)
InChIKeyYYWWRDVFRKWKOB-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.17
Rot. Bonds4

About Tert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate

Tert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate (PubChem CID 137025777) has the molecular formula C24H33N7O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is tert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate.

Molecular Properties

Compound NameTert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
PubChem CID137025777
Molecular FormulaC24H33N7O4
Molecular Weight483.57 g/mol
Exact Mass483.26
IUPAC Nametert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(=O)[nH]c3c(-c4nnc(CN5CCCCC5)o4)cnn23)CC1
InChIInChI=1S/C24H33N7O4/c1-24(2,3)35-23(33)30-11-7-16(8-12-30)18-13-19(32)26-21-17(14-25-31(18)21)22-28-27-20(34-22)15-29-9-5-4-6-10-29/h13-14,16H,4-12,15H2,1-3H3,(H,26,32)
InChIKeyYYWWRDVFRKWKOB-UHFFFAOYSA-N
XLogP3.17
TPSA121.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze Tert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
The IUPAC name of Tert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate (CID 137025777) is tert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate.
What is the SMILES notation for Tert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
The canonical SMILES for Tert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc(=O)[nH]c3c(-c4nnc(CN5CCCCC5)o4)cnn23)CC1.
What is the InChIKey of Tert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
The InChIKey is YYWWRDVFRKWKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O4/c1-24(2,3)35-23(33)30-11-7-16(8-12-30)18-13-19(32)26-21-17(14-25-31(18)21)22-28-27-20(34-22)15-29-9-5-4-6-10-29/h13-14,16H,4-12,15H2,1-3H3,(H,26,32).
What are the key properties of Tert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
Tert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate has a molecular weight of 483.57 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate is sourced from PubChem (CID 137025777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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