5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methoxypyridine-3-carboxamide

C24H20F4N6O3 — CID 155074238

IUPAC5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)c(C)n3n2)cc1C(=O)NCc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C24H20F4N6O3/c1-12-21(31-13(2)35)32-20-7-6-19(33-34(12)20)15-9-17(23(37-3)30-11-15)22(36)29-10-14-8-16(24(26,27)28)4-5-18(14)25/h4-9,11H,10H2,1-3H3,(H,29,36)(H,31,35)
InChIKeyIYFHYZCKQVIPFF-UHFFFAOYSA-N
MW516.46 g/mol
LogP4.15
Rot. Bonds6

About 5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methoxypyridine-3-carboxamide

5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 155074238) has the molecular formula C24H20F4N6O3 and a molecular weight of 516.46 g/mol. Its IUPAC name is 5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methoxypyridine-3-carboxamide
PubChem CID155074238
Molecular FormulaC24H20F4N6O3
Molecular Weight516.46 g/mol
Exact Mass516.15
IUPAC Name5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)c(C)n3n2)cc1C(=O)NCc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C24H20F4N6O3/c1-12-21(31-13(2)35)32-20-7-6-19(33-34(12)20)15-9-17(23(37-3)30-11-15)22(36)29-10-14-8-16(24(26,27)28)4-5-18(14)25/h4-9,11H,10H2,1-3H3,(H,29,36)(H,31,35)
InChIKeyIYFHYZCKQVIPFF-UHFFFAOYSA-N
XLogP4.15
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methoxypyridine-3-carboxamide (CID 155074238) is 5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccc3nc(NC(C)=O)c(C)n3n2)cc1C(=O)NCc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is IYFHYZCKQVIPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N6O3/c1-12-21(31-13(2)35)32-20-7-6-19(33-34(12)20)15-9-17(23(37-3)30-11-15)22(36)29-10-14-8-16(24(26,27)28)4-5-18(14)25/h4-9,11H,10H2,1-3H3,(H,29,36)(H,31,35).
What are the key properties of 5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 516.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155074238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).