1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]pyrrolidine-2,5-dione

C18H17FN4O3 — CID 25122249

IUPAC1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
InChIInChI=1S/C18H17FN4O3/c19-12-4-3-10(9-14(12)23-15(24)5-6-16(23)25)8-13-17-11(2-1-7-20-17)18(26)22-21-13/h3-4,9,20H,1-2,5-8H2,(H,22,26)
InChIKeyVBONRFMGBVRMDR-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.51
Rot. Bonds3

About 1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]pyrrolidine-2,5-dione

1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]pyrrolidine-2,5-dione (PubChem CID 25122249) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]pyrrolidine-2,5-dione
PubChem CID25122249
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
InChIInChI=1S/C18H17FN4O3/c19-12-4-3-10(9-14(12)23-15(24)5-6-16(23)25)8-13-17-11(2-1-7-20-17)18(26)22-21-13/h3-4,9,20H,1-2,5-8H2,(H,22,26)
InChIKeyVBONRFMGBVRMDR-UHFFFAOYSA-N
XLogP1.51
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]pyrrolidine-2,5-dione (CID 25122249) is 1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is VBONRFMGBVRMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c19-12-4-3-10(9-14(12)23-15(24)5-6-16(23)25)8-13-17-11(2-1-7-20-17)18(26)22-21-13/h3-4,9,20H,1-2,5-8H2,(H,22,26).
What are the key properties of 1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]pyrrolidine-2,5-dione?
1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 356.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 25122249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).