1-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione

C18H17N3O3 — CID 170615053

IUPAC1-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione
SMILESO=C1NC(=O)C2(N3CCNc4c(-c5ccccc5)coc43)CC1C2
InChIInChI=1S/C18H17N3O3/c22-15-12-8-18(9-12,17(23)20-15)21-7-6-19-14-13(10-24-16(14)21)11-4-2-1-3-5-11/h1-5,10,12,19H,6-9H2,(H,20,22,23)
InChIKeyMULWJNYXXJVCHV-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.98
Rot. Bonds2

About 1-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione

1-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione (PubChem CID 170615053) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione.

Molecular Properties

Compound Name1-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione
PubChem CID170615053
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione
SMILESO=C1NC(=O)C2(N3CCNc4c(-c5ccccc5)coc43)CC1C2
InChIInChI=1S/C18H17N3O3/c22-15-12-8-18(9-12,17(23)20-15)21-7-6-19-14-13(10-24-16(14)21)11-4-2-1-3-5-11/h1-5,10,12,19H,6-9H2,(H,20,22,23)
InChIKeyMULWJNYXXJVCHV-UHFFFAOYSA-N
XLogP1.98
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione?
The IUPAC name of 1-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione (CID 170615053) is 1-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione.
What is the SMILES notation for 1-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione?
The canonical SMILES for 1-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione is O=C1NC(=O)C2(N3CCNc4c(-c5ccccc5)coc43)CC1C2.
What is the InChIKey of 1-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione?
The InChIKey is MULWJNYXXJVCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-15-12-8-18(9-12,17(23)20-15)21-7-6-19-14-13(10-24-16(14)21)11-4-2-1-3-5-11/h1-5,10,12,19H,6-9H2,(H,20,22,23).
What are the key properties of 1-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione?
1-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione has a molecular weight of 323.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione is sourced from PubChem (CID 170615053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).