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

C21H26N6O4 — CID 137018442

IUPACtert-butyl 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(=O)[nH]c3c(-c4nnc(C5CC5)o4)cnn23)CC1
InChIInChI=1S/C21H26N6O4/c1-21(2,3)31-20(29)26-8-6-12(7-9-26)15-10-16(28)23-17-14(11-22-27(15)17)19-25-24-18(30-19)13-4-5-13/h10-13H,4-9H2,1-3H3,(H,23,28)
InChIKeyHYLDQQOXNMCLPK-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.06
Rot. Bonds3

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

tert-butyl 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate (PubChem CID 137018442) has the molecular formula C21H26N6O4 and a molecular weight of 426.48 g/mol. Its IUPAC name is tert-butyl 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
PubChem CID137018442
Molecular FormulaC21H26N6O4
Molecular Weight426.48 g/mol
Exact Mass426.20
IUPAC Nametert-butyl 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(=O)[nH]c3c(-c4nnc(C5CC5)o4)cnn23)CC1
InChIInChI=1S/C21H26N6O4/c1-21(2,3)31-20(29)26-8-6-12(7-9-26)15-10-16(28)23-17-14(11-22-27(15)17)19-25-24-18(30-19)13-4-5-13/h10-13H,4-9H2,1-3H3,(H,23,28)
InChIKeyHYLDQQOXNMCLPK-UHFFFAOYSA-N
XLogP3.06
TPSA118.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

US10118930, Example 289
CID 137018651
US10118930, Example 282
CID 137018426
US10118930, Example 16
CID 137018461
US10118930, Example 358
CID 137018472
US10118930, Example 165
CID 137018489
US10118930, Example 173
CID 137018525
US10118930, Example 174
CID 137018603
US10118930, Example 293
CID 137018628
US10118930, Example 294
CID 137018646
US10118930, Example 315
CID 137018649
US10118930, Example 357
CID 137018658
US10118930, Example 356
CID 137018664

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate (CID 137018442) is tert-butyl 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc(=O)[nH]c3c(-c4nnc(C5CC5)o4)cnn23)CC1.
What is the InChIKey of tert-butyl 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
The InChIKey is HYLDQQOXNMCLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4/c1-21(2,3)31-20(29)26-8-6-12(7-9-26)15-10-16(28)23-17-14(11-22-27(15)17)19-25-24-18(30-19)13-4-5-13/h10-13H,4-9H2,1-3H3,(H,23,28).
What are the key properties of tert-butyl 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate has a molecular weight of 426.48 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate is sourced from PubChem (CID 137018442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).