5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide

C24H23FN6O3 — CID 142580866

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(F)c(CNC(=O)c2cc(-c3ccc4nc(NC(C)=O)cn4n3)c(C)nc2C)c1
InChIInChI=1S/C24H23FN6O3/c1-13-18(21-7-8-23-29-22(28-15(3)32)12-31(23)30-21)10-19(14(2)27-13)24(33)26-11-16-9-17(34-4)5-6-20(16)25/h5-10,12H,11H2,1-4H3,(H,26,33)(H,28,32)
InChIKeyLKLDHBJFJZMRSU-UHFFFAOYSA-N
MW462.49 g/mol
LogP3.44
Rot. Bonds6

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 142580866) has the molecular formula C24H23FN6O3 and a molecular weight of 462.49 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID142580866
Molecular FormulaC24H23FN6O3
Molecular Weight462.49 g/mol
Exact Mass462.18
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(F)c(CNC(=O)c2cc(-c3ccc4nc(NC(C)=O)cn4n3)c(C)nc2C)c1
InChIInChI=1S/C24H23FN6O3/c1-13-18(21-7-8-23-29-22(28-15(3)32)12-31(23)30-21)10-19(14(2)27-13)24(33)26-11-16-9-17(34-4)5-6-20(16)25/h5-10,12H,11H2,1-4H3,(H,26,33)(H,28,32)
InChIKeyLKLDHBJFJZMRSU-UHFFFAOYSA-N
XLogP3.44
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(azetidine-1-carbonyl)-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378843
4-(azetidine-1-carbonyl)-N-[2-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378844
2-(2,6-Difluoro-4-Methoxyphenyl)-1-(4-{4-[(3-Methyl-1h-Pyrazol-5-Yl)amino]pyrrolo[2,1-F][1,2,4]triazin-2-Yl}piperazin-1-Yl)ethanone
CID 49859752
5-N-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468453
4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468648
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378494
1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(4-methoxyphenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024302
1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(2-methoxyphenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024497
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52934379
US9555022, Example 02.44
CID 54770807
US9555022, Example 02.01
CID 54771711
[4-[[7-(2-Methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 56951311

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide (CID 142580866) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide is COc1ccc(F)c(CNC(=O)c2cc(-c3ccc4nc(NC(C)=O)cn4n3)c(C)nc2C)c1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is LKLDHBJFJZMRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3/c1-13-18(21-7-8-23-29-22(28-15(3)32)12-31(23)30-21)10-19(14(2)27-13)24(33)26-11-16-9-17(34-4)5-6-20(16)25/h5-10,12H,11H2,1-4H3,(H,26,33)(H,28,32).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 462.49 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 142580866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).