1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone

C21H23N5O2 — CID 162256564

IUPAC1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone
SMILESNc1ncc(-c2ccoc2)nc1C(=O)Cc1ccccc1N1CCC(N)CC1
InChIInChI=1S/C21H23N5O2/c22-16-5-8-26(9-6-16)18-4-2-1-3-14(18)11-19(27)20-21(23)24-12-17(25-20)15-7-10-28-13-15/h1-4,7,10,12-13,16H,5-6,8-9,11,22H2,(H2,23,24)
InChIKeyZYRBNMJHFJAGLY-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.67
Rot. Bonds5

About 1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone

1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone (PubChem CID 162256564) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone
PubChem CID162256564
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone
SMILESNc1ncc(-c2ccoc2)nc1C(=O)Cc1ccccc1N1CCC(N)CC1
InChIInChI=1S/C21H23N5O2/c22-16-5-8-26(9-6-16)18-4-2-1-3-14(18)11-19(27)20-21(23)24-12-17(25-20)15-7-10-28-13-15/h1-4,7,10,12-13,16H,5-6,8-9,11,22H2,(H2,23,24)
InChIKeyZYRBNMJHFJAGLY-UHFFFAOYSA-N
XLogP2.67
TPSA111.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone (CID 162256564) is 1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone is Nc1ncc(-c2ccoc2)nc1C(=O)Cc1ccccc1N1CCC(N)CC1.
What is the InChIKey of 1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone?
The InChIKey is ZYRBNMJHFJAGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c22-16-5-8-26(9-6-16)18-4-2-1-3-14(18)11-19(27)20-21(23)24-12-17(25-20)15-7-10-28-13-15/h1-4,7,10,12-13,16H,5-6,8-9,11,22H2,(H2,23,24).
What are the key properties of 1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone?
1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone has a molecular weight of 377.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 162256564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).