azetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione

C23H22N6O3 — CID 157032225

IUPACazetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)N1CCC1.O=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C13H11N5O2.C10H11NO/c19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;12-10(11-7-4-8-11)9-5-2-1-3-6-9/h3-7H,1-2H2,(H2,15,16,19,20);1-3,5-6H,4,7-8H2
InChIKeyZMJICUAVPFPHTB-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.18
Rot. Bonds3

About azetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione

azetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione (PubChem CID 157032225) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is azetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Nameazetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione
PubChem CID157032225
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Nameazetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)N1CCC1.O=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C13H11N5O2.C10H11NO/c19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;12-10(11-7-4-8-11)9-5-2-1-3-6-9/h3-7H,1-2H2,(H2,15,16,19,20);1-3,5-6H,4,7-8H2
InChIKeyZMJICUAVPFPHTB-UHFFFAOYSA-N
XLogP2.18
TPSA116.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene
CID 157034335
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1-methyl-2-(trifluoromethyl)benzene
CID 157033103
5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride
CID 157033699
5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034470
5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033222
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;N-(2,2-difluoroethyl)-2-methanimidoylaniline
CID 157033114
5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033518
5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 163394455
CID 157032361
CID 157032361
5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034421
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane
CID 157032187
5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157035026

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of azetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione (CID 157032225) is azetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for azetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for azetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione is O=C(c1ccccc1)N1CCC1.O=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1.
What is the InChIKey of azetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is ZMJICUAVPFPHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2.C10H11NO/c19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;12-10(11-7-4-8-11)9-5-2-1-3-6-9/h3-7H,1-2H2,(H2,15,16,19,20);1-3,5-6H,4,7-8H2.
What are the key properties of azetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione?
azetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 430.47 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 157032225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).