3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine

C15H16N6 — CID 44621943

IUPAC3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1cc(-c2[nH]nc3ncccc23)nc(N2CCNCC2)c1
InChIInChI=1S/C15H16N6/c1-4-12(14-11-3-2-6-17-15(11)20-19-14)18-13(5-1)21-9-7-16-8-10-21/h1-6,16H,7-10H2,(H,17,19,20)
InChIKeyQQTVBLADGKPBRJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.43
Rot. Bonds2

About 3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine

3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 44621943) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID44621943
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1cc(-c2[nH]nc3ncccc23)nc(N2CCNCC2)c1
InChIInChI=1S/C15H16N6/c1-4-12(14-11-3-2-6-17-15(11)20-19-14)18-13(5-1)21-9-7-16-8-10-21/h1-6,16H,7-10H2,(H,17,19,20)
InChIKeyQQTVBLADGKPBRJ-UHFFFAOYSA-N
XLogP1.43
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (CID 44621943) is 3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is c1cc(-c2[nH]nc3ncccc23)nc(N2CCNCC2)c1.
What is the InChIKey of 3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is QQTVBLADGKPBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-4-12(14-11-3-2-6-17-15(11)20-19-14)18-13(5-1)21-9-7-16-8-10-21/h1-6,16H,7-10H2,(H,17,19,20).
What are the key properties of 3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 280.33 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 44621943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).