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

C26H24N8O — CID 72714861

IUPAC6-(6-phenylmethoxypyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
SMILESc1ccc(COc2cncc(-c3cc4c(cn3)cnn4-c3cccc(N4CCNCC4)n3)n2)cc1
InChIInChI=1S/C26H24N8O/c1-2-5-19(6-3-1)18-35-26-17-28-16-22(31-26)21-13-23-20(14-29-21)15-30-34(23)25-8-4-7-24(32-25)33-11-9-27-10-12-33/h1-8,13-17,27H,9-12,18H2
InChIKeyNUQNGPSYNHDQBA-UHFFFAOYSA-N
MW464.53 g/mol
LogP3.26
Rot. Bonds6

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

6-(6-phenylmethoxypyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine (PubChem CID 72714861) has the molecular formula C26H24N8O and a molecular weight of 464.53 g/mol. Its IUPAC name is 6-(6-phenylmethoxypyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-(6-phenylmethoxypyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
PubChem CID72714861
Molecular FormulaC26H24N8O
Molecular Weight464.53 g/mol
Exact Mass464.21
IUPAC Name6-(6-phenylmethoxypyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
SMILESc1ccc(COc2cncc(-c3cc4c(cn3)cnn4-c3cccc(N4CCNCC4)n3)n2)cc1
InChIInChI=1S/C26H24N8O/c1-2-5-19(6-3-1)18-35-26-17-28-16-22(31-26)21-13-23-20(14-29-21)15-30-34(23)25-8-4-7-24(32-25)33-11-9-27-10-12-33/h1-8,13-17,27H,9-12,18H2
InChIKeyNUQNGPSYNHDQBA-UHFFFAOYSA-N
XLogP3.26
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(6-phenylmethoxypyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-(6-phenylmethoxypyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine (CID 72714861) is 6-(6-phenylmethoxypyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-(6-phenylmethoxypyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-(6-phenylmethoxypyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine is c1ccc(COc2cncc(-c3cc4c(cn3)cnn4-c3cccc(N4CCNCC4)n3)n2)cc1.
What is the InChIKey of 6-(6-phenylmethoxypyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine?
The InChIKey is NUQNGPSYNHDQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O/c1-2-5-19(6-3-1)18-35-26-17-28-16-22(31-26)21-13-23-20(14-29-21)15-30-34(23)25-8-4-7-24(32-25)33-11-9-27-10-12-33/h1-8,13-17,27H,9-12,18H2.
What are the key properties of 6-(6-phenylmethoxypyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine?
6-(6-phenylmethoxypyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine has a molecular weight of 464.53 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-phenylmethoxypyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 72714861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).