2-isoquinolin-7-yloxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C20H15N5O2 — CID 122192852

IUPAC2-isoquinolin-7-yloxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESO=C(COc1ccc2ccncc2c1)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C20H15N5O2/c26-20(13-27-17-3-1-14-5-6-21-10-16(14)9-17)25-19-4-2-15(11-24-19)18-12-22-7-8-23-18/h1-12H,13H2,(H,24,25,26)
InChIKeyRLZSMAYHMSNWRY-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.10
Rot. Bonds5

About 2-isoquinolin-7-yloxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-isoquinolin-7-yloxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 122192852) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-isoquinolin-7-yloxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-isoquinolin-7-yloxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID122192852
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name2-isoquinolin-7-yloxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESO=C(COc1ccc2ccncc2c1)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C20H15N5O2/c26-20(13-27-17-3-1-14-5-6-21-10-16(14)9-17)25-19-4-2-15(11-24-19)18-12-22-7-8-23-18/h1-12H,13H2,(H,24,25,26)
InChIKeyRLZSMAYHMSNWRY-UHFFFAOYSA-N
XLogP3.10
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-7-yloxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-isoquinolin-7-yloxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 122192852) is 2-isoquinolin-7-yloxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-isoquinolin-7-yloxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-isoquinolin-7-yloxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is O=C(COc1ccc2ccncc2c1)Nc1ccc(-c2cnccn2)cn1.
What is the InChIKey of 2-isoquinolin-7-yloxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is RLZSMAYHMSNWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c26-20(13-27-17-3-1-14-5-6-21-10-16(14)9-17)25-19-4-2-15(11-24-19)18-12-22-7-8-23-18/h1-12H,13H2,(H,24,25,26).
What are the key properties of 2-isoquinolin-7-yloxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-isoquinolin-7-yloxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 357.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-7-yloxy-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 122192852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).