5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

C16H14F2N6O2 — CID 157032251

IUPAC5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(N3CC4(CCC4(F)F)C3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C16H14F2N6O2/c17-16(18)2-1-15(16)7-23(8-15)11-5-10(22-24-4-3-19-12(11)24)9-6-20-14(26)21-13(9)25/h3-6H,1-2,7-8H2,(H2,20,21,25,26)
InChIKeyAWLCTMHHQFFSEN-UHFFFAOYSA-N
MW360.32 g/mol
LogP1.01
Rot. Bonds2

About 5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 157032251) has the molecular formula C16H14F2N6O2 and a molecular weight of 360.32 g/mol. Its IUPAC name is 5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID157032251
Molecular FormulaC16H14F2N6O2
Molecular Weight360.32 g/mol
Exact Mass360.11
IUPAC Name5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(N3CC4(CCC4(F)F)C3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C16H14F2N6O2/c17-16(18)2-1-15(16)7-23(8-15)11-5-10(22-24-4-3-19-12(11)24)9-6-20-14(26)21-13(9)25/h3-6H,1-2,7-8H2,(H2,20,21,25,26)
InChIKeyAWLCTMHHQFFSEN-UHFFFAOYSA-N
XLogP1.01
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-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 5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 157032251) is 5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc(N3CC4(CCC4(F)F)C3)c3nccn3n2)c(=O)[nH]1.
What is the InChIKey of 5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is AWLCTMHHQFFSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N6O2/c17-16(18)2-1-15(16)7-23(8-15)11-5-10(22-24-4-3-19-12(11)24)9-6-20-14(26)21-13(9)25/h3-6H,1-2,7-8H2,(H2,20,21,25,26).
What are the key properties of 5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 360.32 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 157032251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).