1-[3-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one;1,4-dimethylpyrazole;ethane;propane

C26H35ClFN5O — CID 145013044

IUPAC1-[3-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one;1,4-dimethylpyrazole;ethane;propane
SMILESCC.CCC.CCCC(=O)c1nc2cccnn2c1-c1ccc(Cl)c(F)c1.Cc1cnn(C)c1
InChIInChI=1S/C16H13ClFN3O.C5H8N2.C3H8.C2H6/c1-2-4-13(22)15-16(10-6-7-11(17)12(18)9-10)21-14(20-15)5-3-8-19-21;1-5-3-6-7(2)4-5;1-3-2;1-2/h3,5-9H,2,4H2,1H3;3-4H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyYICQEEXDOQBAEA-UHFFFAOYSA-N
MW488.05 g/mol
LogP7.34
Rot. Bonds4

About 1-[3-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one;1,4-dimethylpyrazole;ethane;propane

1-[3-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one;1,4-dimethylpyrazole;ethane;propane (PubChem CID 145013044) has the molecular formula C26H35ClFN5O and a molecular weight of 488.05 g/mol. Its IUPAC name is 1-[3-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one;1,4-dimethylpyrazole;ethane;propane.

Molecular Properties

Compound Name1-[3-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one;1,4-dimethylpyrazole;ethane;propane
PubChem CID145013044
Molecular FormulaC26H35ClFN5O
Molecular Weight488.05 g/mol
Exact Mass487.25
IUPAC Name1-[3-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one;1,4-dimethylpyrazole;ethane;propane
SMILESCC.CCC.CCCC(=O)c1nc2cccnn2c1-c1ccc(Cl)c(F)c1.Cc1cnn(C)c1
InChIInChI=1S/C16H13ClFN3O.C5H8N2.C3H8.C2H6/c1-2-4-13(22)15-16(10-6-7-11(17)12(18)9-10)21-14(20-15)5-3-8-19-21;1-5-3-6-7(2)4-5;1-3-2;1-2/h3,5-9H,2,4H2,1H3;3-4H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyYICQEEXDOQBAEA-UHFFFAOYSA-N
XLogP7.34
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.05
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-chloro-2,5-difluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one
CID 138598625
azetidin-1-yl-[3-(3-chloro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone
CID 118875405
3-(3,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 118863066
3-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate
CID 140700938
azetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone
CID 126700180
3-(4-chloro-3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine
CID 138457223
3-(4-chlorophenyl)-N-ethenylimidazo[1,2-b]pyridazine-2-carboxamide
CID 129153442
1-(4-chloro-3-fluorophenyl)butan-1-one
CID 70297429
4-(4-chloro-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 69093900
3-(4-chlorophenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 129153441
4-chloro-N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide
CID 143255054
N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide
CID 59759575

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one;1,4-dimethylpyrazole;ethane;propane?
The IUPAC name of 1-[3-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one;1,4-dimethylpyrazole;ethane;propane (CID 145013044) is 1-[3-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one;1,4-dimethylpyrazole;ethane;propane.
What is the SMILES notation for 1-[3-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one;1,4-dimethylpyrazole;ethane;propane?
The canonical SMILES for 1-[3-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one;1,4-dimethylpyrazole;ethane;propane is CC.CCC.CCCC(=O)c1nc2cccnn2c1-c1ccc(Cl)c(F)c1.Cc1cnn(C)c1.
What is the InChIKey of 1-[3-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one;1,4-dimethylpyrazole;ethane;propane?
The InChIKey is YICQEEXDOQBAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O.C5H8N2.C3H8.C2H6/c1-2-4-13(22)15-16(10-6-7-11(17)12(18)9-10)21-14(20-15)5-3-8-19-21;1-5-3-6-7(2)4-5;1-3-2;1-2/h3,5-9H,2,4H2,1H3;3-4H,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 1-[3-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one;1,4-dimethylpyrazole;ethane;propane?
1-[3-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one;1,4-dimethylpyrazole;ethane;propane has a molecular weight of 488.05 g/mol, XLogP of 7.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one;1,4-dimethylpyrazole;ethane;propane is sourced from PubChem (CID 145013044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).