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

C17H20N6 — CID 45108117

IUPAC3-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCC[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1
InChIInChI=1S/C17H20N6/c1-2-12-11-23(10-9-18-12)15-7-3-6-14(20-15)16-13-5-4-8-19-17(13)22-21-16/h3-8,12,18H,2,9-11H2,1H3,(H,19,21,22)/t12-/m1/s1
InChIKeyGZRXZIIXJPGKRW-GFCCVEGCSA-N
MW308.39 g/mol
LogP2.21
Rot. Bonds3

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

3-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 45108117) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID45108117
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name3-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCC[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1
InChIInChI=1S/C17H20N6/c1-2-12-11-23(10-9-18-12)15-7-3-6-14(20-15)16-13-5-4-8-19-17(13)22-21-16/h3-8,12,18H,2,9-11H2,1H3,(H,19,21,22)/t12-/m1/s1
InChIKeyGZRXZIIXJPGKRW-GFCCVEGCSA-N
XLogP2.21
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 45108117) is 3-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is CC[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.
What is the InChIKey of 3-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is GZRXZIIXJPGKRW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N6/c1-2-12-11-23(10-9-18-12)15-7-3-6-14(20-15)16-13-5-4-8-19-17(13)22-21-16/h3-8,12,18H,2,9-11H2,1H3,(H,19,21,22)/t12-/m1/s1.
What are the key properties of 3-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 308.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 45108117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).