N-[3-(2-imidazo[1,2-b]pyridazin-6-ylethynyl)phenyl]-1-benzofuran-2-carboxamide

C23H14N4O2 — CID 118638445

IUPACN-[3-(2-imidazo[1,2-b]pyridazin-6-ylethynyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(C#Cc2ccc3nccn3n2)c1)c1cc2ccccc2o1
InChIInChI=1S/C23H14N4O2/c28-23(21-15-17-5-1-2-7-20(17)29-21)25-19-6-3-4-16(14-19)8-9-18-10-11-22-24-12-13-27(22)26-18/h1-7,10-15H,(H,25,28)
InChIKeyGXCSUVBPKJBUPR-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.13
Rot. Bonds2

About N-[3-(2-imidazo[1,2-b]pyridazin-6-ylethynyl)phenyl]-1-benzofuran-2-carboxamide

N-[3-(2-imidazo[1,2-b]pyridazin-6-ylethynyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 118638445) has the molecular formula C23H14N4O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[3-(2-imidazo[1,2-b]pyridazin-6-ylethynyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-imidazo[1,2-b]pyridazin-6-ylethynyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID118638445
Molecular FormulaC23H14N4O2
Molecular Weight378.39 g/mol
Exact Mass378.11
IUPAC NameN-[3-(2-imidazo[1,2-b]pyridazin-6-ylethynyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(C#Cc2ccc3nccn3n2)c1)c1cc2ccccc2o1
InChIInChI=1S/C23H14N4O2/c28-23(21-15-17-5-1-2-7-20(17)29-21)25-19-6-3-4-16(14-19)8-9-18-10-11-22-24-12-13-27(22)26-18/h1-7,10-15H,(H,25,28)
InChIKeyGXCSUVBPKJBUPR-UHFFFAOYSA-N
XLogP4.13
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Pyrazolo[3,4-d]pyrimidine 15
CID 6539966
4-(8-((4-(4-(tert-Butyl)piperazin-1-yl)phenyl)amino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)furan-2-carboxamide
CID 57589985
3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-benzamide
CID 11336181
N-[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-acetamide
CID 44216145
3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-1-phenyl-prop-2-yn-1-ol
CID 44391324
3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-N-isopropyl-benzamide
CID 44403126
6-(3-Amino-phenyl)-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
CID 44403138
[4-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-morpholin-4-yl-methanone
CID 44403145
3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-N-[2-(4-hydroxy-phenyl)-ethyl]-benzamide
CID 44403146
6-(3-Dimethylamino-phenyl)-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
CID 44403148
4-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-N-[2-(4-hydroxy-phenyl)-ethyl]-benzamide
CID 44403149
4-[5-(1-benzofuran-2-carbonylamino)-2-pyridinyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 52917419

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-imidazo[1,2-b]pyridazin-6-ylethynyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(2-imidazo[1,2-b]pyridazin-6-ylethynyl)phenyl]-1-benzofuran-2-carboxamide (CID 118638445) is N-[3-(2-imidazo[1,2-b]pyridazin-6-ylethynyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(2-imidazo[1,2-b]pyridazin-6-ylethynyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(2-imidazo[1,2-b]pyridazin-6-ylethynyl)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1cccc(C#Cc2ccc3nccn3n2)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[3-(2-imidazo[1,2-b]pyridazin-6-ylethynyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is GXCSUVBPKJBUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N4O2/c28-23(21-15-17-5-1-2-7-20(17)29-21)25-19-6-3-4-16(14-19)8-9-18-10-11-22-24-12-13-27(22)26-18/h1-7,10-15H,(H,25,28).
What are the key properties of N-[3-(2-imidazo[1,2-b]pyridazin-6-ylethynyl)phenyl]-1-benzofuran-2-carboxamide?
N-[3-(2-imidazo[1,2-b]pyridazin-6-ylethynyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-imidazo[1,2-b]pyridazin-6-ylethynyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 118638445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).