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

C16H18N6 — CID 45108120

IUPAC3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESC[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1
InChIInChI=1S/C16H18N6/c1-11-10-22(9-8-17-11)14-6-2-5-13(19-14)15-12-4-3-7-18-16(12)21-20-15/h2-7,11,17H,8-10H2,1H3,(H,18,20,21)/t11-/m1/s1
InChIKeyRMRAGHHDUPBIJZ-LLVKDONJSA-N
MW294.36 g/mol
LogP1.82
Rot. Bonds2

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

3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 45108120) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID45108120
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESC[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1
InChIInChI=1S/C16H18N6/c1-11-10-22(9-8-17-11)14-6-2-5-13(19-14)15-12-4-3-7-18-16(12)21-20-15/h2-7,11,17H,8-10H2,1H3,(H,18,20,21)/t11-/m1/s1
InChIKeyRMRAGHHDUPBIJZ-LLVKDONJSA-N
XLogP1.82
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.82
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-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 45108120) is 3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is C[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.
What is the InChIKey of 3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is RMRAGHHDUPBIJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N6/c1-11-10-22(9-8-17-11)14-6-2-5-13(19-14)15-12-4-3-7-18-16(12)21-20-15/h2-7,11,17H,8-10H2,1H3,(H,18,20,21)/t11-/m1/s1.
What are the key properties of 3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 294.36 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 45108120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).