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

C24H20F4N6O4 — CID 142580848

IUPAC5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)c(C)n3n2)cc1C(=O)NCc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C24H20F4N6O4/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(4-5-18(14)25)38-24(26,27)28/h4-9,11H,10H2,1-3H3,(H,29,36)(H,31,35)
InChIKeyMNVYIOAEOMQIGL-UHFFFAOYSA-N
MW532.45 g/mol
LogP4.03
Rot. Bonds7

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

5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 142580848) has the molecular formula C24H20F4N6O4 and a molecular weight of 532.45 g/mol. Its IUPAC name is 5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
PubChem CID142580848
Molecular FormulaC24H20F4N6O4
Molecular Weight532.45 g/mol
Exact Mass532.15
IUPAC Name5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)c(C)n3n2)cc1C(=O)NCc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C24H20F4N6O4/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(4-5-18(14)25)38-24(26,27)28/h4-9,11H,10H2,1-3H3,(H,29,36)(H,31,35)
InChIKeyMNVYIOAEOMQIGL-UHFFFAOYSA-N
XLogP4.03
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-(trifluoromethoxy)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-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide (CID 142580848) is 5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)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-(trifluoromethoxy)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-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccc3nc(NC(C)=O)c(C)n3n2)cc1C(=O)NCc1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of 5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is MNVYIOAEOMQIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N6O4/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(4-5-18(14)25)38-24(26,27)28/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-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
5-(2-acetamido-3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 532.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 142580848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).