ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate

C26H20N4O2 — CID 25176705

IUPACethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2cnn3c(-c4ccnc(-c5ccccc5)c4)cnc3c2)cc1
InChIInChI=1S/C26H20N4O2/c1-2-32-26(31)20-10-8-18(9-11-20)22-15-25-28-17-24(30(25)29-16-22)21-12-13-27-23(14-21)19-6-4-3-5-7-19/h3-17H,2H2,1H3
InChIKeyPFWGPSZSXOZBLU-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.30
Rot. Bonds5

About ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate

ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate (PubChem CID 25176705) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate
PubChem CID25176705
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Nameethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2cnn3c(-c4ccnc(-c5ccccc5)c4)cnc3c2)cc1
InChIInChI=1S/C26H20N4O2/c1-2-32-26(31)20-10-8-18(9-11-20)22-15-25-28-17-24(30(25)29-16-22)21-12-13-27-23(14-21)19-6-4-3-5-7-19/h3-17H,2H2,1H3
InChIKeyPFWGPSZSXOZBLU-UHFFFAOYSA-N
XLogP5.30
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate
CID 25262646
ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
CID 102197724
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate
CID 46210366
4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
CID 141367130
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone
CID 25174294
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate?
The IUPAC name of ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate (CID 25176705) is ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate.
What is the SMILES notation for ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate?
The canonical SMILES for ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate is CCOC(=O)c1ccc(-c2cnn3c(-c4ccnc(-c5ccccc5)c4)cnc3c2)cc1.
What is the InChIKey of ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate?
The InChIKey is PFWGPSZSXOZBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c1-2-32-26(31)20-10-8-18(9-11-20)22-15-25-28-17-24(30(25)29-16-22)21-12-13-27-23(14-21)19-6-4-3-5-7-19/h3-17H,2H2,1H3.
What are the key properties of ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate?
ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate has a molecular weight of 420.47 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate is sourced from PubChem (CID 25176705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).