5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride

C14H13F3N6O2 — CID 157034236

IUPAC5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride
SMILESF.O=c1[nH]cc(-c2cc(N3CC[C@@H](F)C3)c3ncc(F)n3n2)c(=O)[nH]1
InChIInChI=1S/C14H12F2N6O2.FH/c15-7-1-2-21(6-7)10-3-9(8-4-18-14(24)19-13(8)23)20-22-11(16)5-17-12(10)22;/h3-5,7H,1-2,6H2,(H2,18,19,23,24);1H/t7-;/m1./s1
InChIKeySTZFSSKELFKJBB-OGFXRTJISA-N
MW354.29 g/mol
LogP0.61
Rot. Bonds2

About 5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride

5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride (PubChem CID 157034236) has the molecular formula C14H13F3N6O2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride.

Molecular Properties

Compound Name5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride
PubChem CID157034236
Molecular FormulaC14H13F3N6O2
Molecular Weight354.29 g/mol
Exact Mass354.11
IUPAC Name5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride
SMILESF.O=c1[nH]cc(-c2cc(N3CC[C@@H](F)C3)c3ncc(F)n3n2)c(=O)[nH]1
InChIInChI=1S/C14H12F2N6O2.FH/c15-7-1-2-21(6-7)10-3-9(8-4-18-14(24)19-13(8)23)20-22-11(16)5-17-12(10)22;/h3-5,7H,1-2,6H2,(H2,18,19,23,24);1H/t7-;/m1./s1
InChIKeySTZFSSKELFKJBB-OGFXRTJISA-N
XLogP0.61
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione
CID 166827273
ethane;5-[3-fluoro-8-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033492
5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 174188354
[(3S)-1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl] carbamate
CID 168861798
5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 166827575
4-[(3S)-1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]oxy-2-(trifluoromethoxy)benzonitrile
CID 157034255
5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128886
5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole
CID 157032829
5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128795
4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile
CID 174040149
5-[8-(3-prop-2-ynylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157035090
5-[8-[(3S,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032616

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride?
The IUPAC name of 5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride (CID 157034236) is 5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride.
What is the SMILES notation for 5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride?
The canonical SMILES for 5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride is F.O=c1[nH]cc(-c2cc(N3CC[C@@H](F)C3)c3ncc(F)n3n2)c(=O)[nH]1.
What is the InChIKey of 5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride?
The InChIKey is STZFSSKELFKJBB-OGFXRTJISA-N. The full InChI is InChI=1S/C14H12F2N6O2.FH/c15-7-1-2-21(6-7)10-3-9(8-4-18-14(24)19-13(8)23)20-22-11(16)5-17-12(10)22;/h3-5,7H,1-2,6H2,(H2,18,19,23,24);1H/t7-;/m1./s1.
What are the key properties of 5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride?
5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride has a molecular weight of 354.29 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride is sourced from PubChem (CID 157034236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).