5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione

C14H13FN6O2 — CID 166827273

IUPAC5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(N3CCCC3)c3ncc(F)n3n2)c(=O)[nH]1
InChIInChI=1S/C14H13FN6O2/c15-11-7-16-12-10(20-3-1-2-4-20)5-9(19-21(11)12)8-6-17-14(23)18-13(8)22/h5-7H,1-4H2,(H2,17,18,22,23)
InChIKeyQBGBVHQRYFJNAW-UHFFFAOYSA-N
MW316.30 g/mol
LogP0.51
Rot. Bonds2

About 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione

5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione (PubChem CID 166827273) has the molecular formula C14H13FN6O2 and a molecular weight of 316.30 g/mol. Its IUPAC name is 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione
PubChem CID166827273
Molecular FormulaC14H13FN6O2
Molecular Weight316.30 g/mol
Exact Mass316.11
IUPAC Name5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(N3CCCC3)c3ncc(F)n3n2)c(=O)[nH]1
InChIInChI=1S/C14H13FN6O2/c15-11-7-16-12-10(20-3-1-2-4-20)5-9(19-21(11)12)8-6-17-14(23)18-13(8)22/h5-7H,1-4H2,(H2,17,18,22,23)
InChIKeyQBGBVHQRYFJNAW-UHFFFAOYSA-N
XLogP0.51
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride
CID 157034236
5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 174188354
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
[(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
fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione
CID 163274221
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-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 166827575
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-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 167340219
5-[3-chloro-8-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 163216814
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-[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-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione (CID 166827273) is 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc(N3CCCC3)c3ncc(F)n3n2)c(=O)[nH]1.
What is the InChIKey of 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is QBGBVHQRYFJNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6O2/c15-11-7-16-12-10(20-3-1-2-4-20)5-9(19-21(11)12)8-6-17-14(23)18-13(8)22/h5-7H,1-4H2,(H2,17,18,22,23).
What are the key properties of 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione?
5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 316.30 g/mol, XLogP of 0.51, 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-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 166827273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).