1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile

C15H12FN7O2 — CID 157033371

IUPAC1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile
SMILESN#CC1(F)CCN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)C1
InChIInChI=1S/C15H12FN7O2/c16-15(7-17)1-3-22(8-15)11-5-10(21-23-4-2-18-12(11)23)9-6-19-14(25)20-13(9)24/h2,4-6H,1,3,8H2,(H2,19,20,24,25)
InChIKeyWERBYIYNGWIIQA-UHFFFAOYSA-N
MW341.31 g/mol
LogP0.21
Rot. Bonds2

About 1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile

1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile (PubChem CID 157033371) has the molecular formula C15H12FN7O2 and a molecular weight of 341.31 g/mol. Its IUPAC name is 1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile
PubChem CID157033371
Molecular FormulaC15H12FN7O2
Molecular Weight341.31 g/mol
Exact Mass341.10
IUPAC Name1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile
SMILESN#CC1(F)CCN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)C1
InChIInChI=1S/C15H12FN7O2/c16-15(7-17)1-3-22(8-15)11-5-10(21-23-4-2-18-12(11)23)9-6-19-14(25)20-13(9)24/h2,4-6H,1,3,8H2,(H2,19,20,24,25)
InChIKeyWERBYIYNGWIIQA-UHFFFAOYSA-N
XLogP0.21
TPSA122.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033011
5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032315
5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157035179
5-[8-[8,8-difluoro-2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.4]octan-6-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032977
5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 166827575
6-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carbonitrile
CID 157034403
6-[(3S)-1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carbonitrile
CID 157034001
5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 163394455
5-[8-[4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033928
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
5-[8-(3-prop-2-ynylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157035090

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile?
The IUPAC name of 1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile (CID 157033371) is 1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile?
The canonical SMILES for 1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile is N#CC1(F)CCN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)C1.
What is the InChIKey of 1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile?
The InChIKey is WERBYIYNGWIIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN7O2/c16-15(7-17)1-3-22(8-15)11-5-10(21-23-4-2-18-12(11)23)9-6-19-14(25)20-13(9)24/h2,4-6H,1,3,8H2,(H2,19,20,24,25).
What are the key properties of 1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile?
1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile has a molecular weight of 341.31 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile is sourced from PubChem (CID 157033371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).