tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate

C20H29N5O2 — CID 76667892

IUPACtert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate
SMILESCc1cc(N2CCC2)nc2cc(C3CCCCN3C(=O)OC(C)(C)C)nn12
InChIInChI=1S/C20H29N5O2/c1-14-12-17(23-9-7-10-23)21-18-13-15(22-25(14)18)16-8-5-6-11-24(16)19(26)27-20(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyUNGTWUJETZORQK-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.71
Rot. Bonds2

About tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate

tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate (PubChem CID 76667892) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate
PubChem CID76667892
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Nametert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate
SMILESCc1cc(N2CCC2)nc2cc(C3CCCCN3C(=O)OC(C)(C)C)nn12
InChIInChI=1S/C20H29N5O2/c1-14-12-17(23-9-7-10-23)21-18-13-15(22-25(14)18)16-8-5-6-11-24(16)19(26)27-20(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyUNGTWUJETZORQK-UHFFFAOYSA-N
XLogP3.71
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate (CID 76667892) is tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate is Cc1cc(N2CCC2)nc2cc(C3CCCCN3C(=O)OC(C)(C)C)nn12.
What is the InChIKey of tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate?
The InChIKey is UNGTWUJETZORQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-14-12-17(23-9-7-10-23)21-18-13-15(22-25(14)18)16-8-5-6-11-24(16)19(26)27-20(2,3)4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate?
tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate has a molecular weight of 371.49 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 76667892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).