2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]selenazolo[4,5-b]pyridin-5-one

C12H10FN3OSe — CID 42647997

IUPAC2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]selenazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c([se]1)C(c1ccc(F)cc1)CC(=O)N2
InChIInChI=1S/C12H10FN3OSe/c13-7-3-1-6(2-4-7)8-5-9(17)15-11-10(8)18-12(14)16-11/h1-4,8H,5H2,(H2,14,16)(H,15,17)
InChIKeyRLMXESCRKCKQTH-UHFFFAOYSA-N
MW310.19 g/mol
LogP1.33
Rot. Bonds1

About 2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]selenazolo[4,5-b]pyridin-5-one

2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]selenazolo[4,5-b]pyridin-5-one (PubChem CID 42647997) has the molecular formula C12H10FN3OSe and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]selenazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]selenazolo[4,5-b]pyridin-5-one
PubChem CID42647997
Molecular FormulaC12H10FN3OSe
Molecular Weight310.19 g/mol
Exact Mass311.00
IUPAC Name2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]selenazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c([se]1)C(c1ccc(F)cc1)CC(=O)N2
InChIInChI=1S/C12H10FN3OSe/c13-7-3-1-6(2-4-7)8-5-9(17)15-11-10(8)18-12(14)16-11/h1-4,8H,5H2,(H2,14,16)(H,15,17)
InChIKeyRLMXESCRKCKQTH-UHFFFAOYSA-N
XLogP1.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]selenazolo[4,5-b]pyridin-5-one?
The IUPAC name of 2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]selenazolo[4,5-b]pyridin-5-one (CID 42647997) is 2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]selenazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]selenazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]selenazolo[4,5-b]pyridin-5-one is Nc1nc2c([se]1)C(c1ccc(F)cc1)CC(=O)N2.
What is the InChIKey of 2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]selenazolo[4,5-b]pyridin-5-one?
The InChIKey is RLMXESCRKCKQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3OSe/c13-7-3-1-6(2-4-7)8-5-9(17)15-11-10(8)18-12(14)16-11/h1-4,8H,5H2,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]selenazolo[4,5-b]pyridin-5-one?
2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]selenazolo[4,5-b]pyridin-5-one has a molecular weight of 310.19 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]selenazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 42647997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).