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

C15H15FN6 — CID 44622679

IUPAC3-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(N2CCNCC2)nc1-c1[nH]nc2ncccc12
InChIInChI=1S/C15H15FN6/c16-11-3-4-12(22-8-6-17-7-9-22)19-14(11)13-10-2-1-5-18-15(10)21-20-13/h1-5,17H,6-9H2,(H,18,20,21)
InChIKeyAFICENYJQYURCA-UHFFFAOYSA-N
MW298.32 g/mol
LogP1.57
Rot. Bonds2

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

3-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 44622679) has the molecular formula C15H15FN6 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID44622679
Molecular FormulaC15H15FN6
Molecular Weight298.32 g/mol
Exact Mass298.13
IUPAC Name3-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(N2CCNCC2)nc1-c1[nH]nc2ncccc12
InChIInChI=1S/C15H15FN6/c16-11-3-4-12(22-8-6-17-7-9-22)19-14(11)13-10-2-1-5-18-15(10)21-20-13/h1-5,17H,6-9H2,(H,18,20,21)
InChIKeyAFICENYJQYURCA-UHFFFAOYSA-N
XLogP1.57
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (CID 44622679) is 3-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is Fc1ccc(N2CCNCC2)nc1-c1[nH]nc2ncccc12.
What is the InChIKey of 3-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is AFICENYJQYURCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6/c16-11-3-4-12(22-8-6-17-7-9-22)19-14(11)13-10-2-1-5-18-15(10)21-20-13/h1-5,17H,6-9H2,(H,18,20,21).
What are the key properties of 3-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
3-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 298.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 44622679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).