tert-butyl 6-piperazin-1-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate

C15H21N5O2 — CID 10733243

IUPACtert-butyl 6-piperazin-1-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1[nH]nc2nc(N3CCNCC3)ccc12
InChIInChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)12-10-4-5-11(17-13(10)19-18-12)20-8-6-16-7-9-20/h4-5,16H,6-9H2,1-3H3,(H,17,18,19)
InChIKeyMDUNWTCCMJDEEK-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.32
Rot. Bonds2

About tert-butyl 6-piperazin-1-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate

tert-butyl 6-piperazin-1-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate (PubChem CID 10733243) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is tert-butyl 6-piperazin-1-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-piperazin-1-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
PubChem CID10733243
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Nametert-butyl 6-piperazin-1-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1[nH]nc2nc(N3CCNCC3)ccc12
InChIInChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)12-10-4-5-11(17-13(10)19-18-12)20-8-6-16-7-9-20/h4-5,16H,6-9H2,1-3H3,(H,17,18,19)
InChIKeyMDUNWTCCMJDEEK-UHFFFAOYSA-N
XLogP1.32
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-piperazin-1-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate?
The IUPAC name of tert-butyl 6-piperazin-1-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate (CID 10733243) is tert-butyl 6-piperazin-1-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 6-piperazin-1-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for tert-butyl 6-piperazin-1-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate is CC(C)(C)OC(=O)c1[nH]nc2nc(N3CCNCC3)ccc12.
What is the InChIKey of tert-butyl 6-piperazin-1-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate?
The InChIKey is MDUNWTCCMJDEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)12-10-4-5-11(17-13(10)19-18-12)20-8-6-16-7-9-20/h4-5,16H,6-9H2,1-3H3,(H,17,18,19).
What are the key properties of tert-butyl 6-piperazin-1-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate?
tert-butyl 6-piperazin-1-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate has a molecular weight of 303.37 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-piperazin-1-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 10733243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).