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

C17H19FN6O — CID 67949771

IUPAC3-[3-fluoro-6-[(3R)-3-(methoxymethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOC[C@H]1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCN1
InChIInChI=1S/C17H19FN6O/c1-25-10-11-9-24(8-7-19-11)14-5-4-13(18)16(21-14)15-12-3-2-6-20-17(12)23-22-15/h2-6,11,19H,7-10H2,1H3,(H,20,22,23)/t11-/m1/s1
InChIKeyBKSQEOBYZCJPLI-LLVKDONJSA-N
MW342.38 g/mol
LogP1.58
Rot. Bonds4

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

3-[3-fluoro-6-[(3R)-3-(methoxymethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 67949771) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 3-[3-fluoro-6-[(3R)-3-(methoxymethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[3-fluoro-6-[(3R)-3-(methoxymethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID67949771
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name3-[3-fluoro-6-[(3R)-3-(methoxymethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOC[C@H]1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCN1
InChIInChI=1S/C17H19FN6O/c1-25-10-11-9-24(8-7-19-11)14-5-4-13(18)16(21-14)15-12-3-2-6-20-17(12)23-22-15/h2-6,11,19H,7-10H2,1H3,(H,20,22,23)/t11-/m1/s1
InChIKeyBKSQEOBYZCJPLI-LLVKDONJSA-N
XLogP1.58
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-6-[(3R)-3-(methoxymethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[3-fluoro-6-[(3R)-3-(methoxymethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 67949771) is 3-[3-fluoro-6-[(3R)-3-(methoxymethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[3-fluoro-6-[(3R)-3-(methoxymethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[3-fluoro-6-[(3R)-3-(methoxymethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is COC[C@H]1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCN1.
What is the InChIKey of 3-[3-fluoro-6-[(3R)-3-(methoxymethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is BKSQEOBYZCJPLI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-25-10-11-9-24(8-7-19-11)14-5-4-13(18)16(21-14)15-12-3-2-6-20-17(12)23-22-15/h2-6,11,19H,7-10H2,1H3,(H,20,22,23)/t11-/m1/s1.
What are the key properties of 3-[3-fluoro-6-[(3R)-3-(methoxymethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[3-fluoro-6-[(3R)-3-(methoxymethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 342.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-6-[(3R)-3-(methoxymethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 67949771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).