N-[4-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide

C18H14N4O2 — CID 155541394

IUPACN-[4-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc3ccc(-c4ccoc4)nn23)cc1
InChIInChI=1S/C18H14N4O2/c1-12(23)20-15-4-2-13(3-5-15)17-10-19-18-7-6-16(21-22(17)18)14-8-9-24-11-14/h2-11H,1H3,(H,20,23)
InChIKeyJUKYFMFJMLOTCP-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.61
Rot. Bonds3

About N-[4-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide

N-[4-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (PubChem CID 155541394) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[4-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
PubChem CID155541394
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-[4-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc3ccc(-c4ccoc4)nn23)cc1
InChIInChI=1S/C18H14N4O2/c1-12(23)20-15-4-2-13(3-5-15)17-10-19-18-7-6-16(21-22(17)18)14-8-9-24-11-14/h2-11H,1H3,(H,20,23)
InChIKeyJUKYFMFJMLOTCP-UHFFFAOYSA-N
XLogP3.61
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid {2-[2-(2-fluoro-ethoxy)-phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-amide
CID 86666030
4-(azetidine-1-carbonyl)-N-[2-[2-(3-fluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414845
3-(2-fluorophenyl)-7-(furan-3-yl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9908469
1-[3-(4-Amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)phenyl]-3-(4-phenylmethoxyphenyl)urea
CID 16739855
3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-N,N-diethyl-benzamide
CID 44403132
[4-[[7-(2-Methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 56951311
US10774086, Example 24
CID 139465947
2-Methoxy-4-[6-(Propan-2-Ylamino)imidazo[1,2-B]pyridazin-3-Yl]benzamide
CID 136664429
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
5-[2-(2-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67775649
US10399985, Example 39
CID 118288256
ethyl N-[4-[[4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carbonyl]amino]cyclohexyl]carbamate
CID 68231238

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (CID 155541394) is N-[4-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cnc3ccc(-c4ccoc4)nn23)cc1.
What is the InChIKey of N-[4-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The InChIKey is JUKYFMFJMLOTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-12(23)20-15-4-2-13(3-5-15)17-10-19-18-7-6-16(21-22(17)18)14-8-9-24-11-14/h2-11H,1H3,(H,20,23).
What are the key properties of N-[4-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
N-[4-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide has a molecular weight of 318.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 155541394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).