2-(5-methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine

C19H20N6O — CID 45488325

IUPAC2-(5-methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
SMILESCOc1cncc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)c1
InChIInChI=1S/C19H20N6O/c1-26-17-10-15(11-21-12-17)18-13-22-14-19(23-18)25-8-6-24(7-9-25)16-2-4-20-5-3-16/h2-5,10-14H,6-9H2,1H3
InChIKeyIEFQLFGGKVRQEC-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.27
Rot. Bonds4

About 2-(5-methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine

2-(5-methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine (PubChem CID 45488325) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(5-methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(5-methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
PubChem CID45488325
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-(5-methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
SMILESCOc1cncc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)c1
InChIInChI=1S/C19H20N6O/c1-26-17-10-15(11-21-12-17)18-13-22-14-19(23-18)25-8-6-24(7-9-25)16-2-4-20-5-3-16/h2-5,10-14H,6-9H2,1H3
InChIKeyIEFQLFGGKVRQEC-UHFFFAOYSA-N
XLogP2.27
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(5-methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine (CID 45488325) is 2-(5-methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(5-methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(5-methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine is COc1cncc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)c1.
What is the InChIKey of 2-(5-methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The InChIKey is IEFQLFGGKVRQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-26-17-10-15(11-21-12-17)18-13-22-14-19(23-18)25-8-6-24(7-9-25)16-2-4-20-5-3-16/h2-5,10-14H,6-9H2,1H3.
What are the key properties of 2-(5-methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
2-(5-methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine has a molecular weight of 348.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 45488325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).