5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide

C25H21FN8O2 — CID 155074122

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)Nc4cn(Cc5ccc(F)cc5)cn4)c3)ccc2n1
InChIInChI=1S/C25H21FN8O2/c1-15-20(25(36)31-22-12-33(14-28-22)11-17-3-5-19(26)6-4-17)9-18(10-27-15)21-7-8-24-30-23(29-16(2)35)13-34(24)32-21/h3-10,12-14H,11H2,1-2H3,(H,29,35)(H,31,36)
InChIKeyYBYXLAHIWSAKPC-UHFFFAOYSA-N
MW484.50 g/mol
LogP3.69
Rot. Bonds6

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide (PubChem CID 155074122) has the molecular formula C25H21FN8O2 and a molecular weight of 484.50 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide
PubChem CID155074122
Molecular FormulaC25H21FN8O2
Molecular Weight484.50 g/mol
Exact Mass484.18
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)Nc4cn(Cc5ccc(F)cc5)cn4)c3)ccc2n1
InChIInChI=1S/C25H21FN8O2/c1-15-20(25(36)31-22-12-33(14-28-22)11-17-3-5-19(26)6-4-17)9-18(10-27-15)21-7-8-24-30-23(29-16(2)35)13-34(24)32-21/h3-10,12-14H,11H2,1-2H3,(H,29,35)(H,31,36)
InChIKeyYBYXLAHIWSAKPC-UHFFFAOYSA-N
XLogP3.69
TPSA119.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide
CID 155074207
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide
CID 155074311
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 155074344
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide
CID 155074098
2-methyl-5-[2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid
CID 142580998
N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-[2-[(2-hydroxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide
CID 155074268
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 155074393
N-[6-(6-amino-5-ethoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 59251850
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 142581016
3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537121
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methylpyridine-2-carboxamide
CID 118550846
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 90246106

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide (CID 155074122) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)Nc4cn(Cc5ccc(F)cc5)cn4)c3)ccc2n1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is YBYXLAHIWSAKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN8O2/c1-15-20(25(36)31-22-12-33(14-28-22)11-17-3-5-19(26)6-4-17)9-18(10-27-15)21-7-8-24-30-23(29-16(2)35)13-34(24)32-21/h3-10,12-14H,11H2,1-2H3,(H,29,35)(H,31,36).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 484.50 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155074122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).