N-[6-[6-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide

C22H20F3N5O2 — CID 158435834

IUPACN-[6-[6-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2nc(C3=C(C)N(Cc4ccccc4OC(F)(F)F)CC=C3)ccc2n1
InChIInChI=1S/C22H20F3N5O2/c1-14-17(18-9-10-21-27-20(26-15(2)31)13-30(21)28-18)7-5-11-29(14)12-16-6-3-4-8-19(16)32-22(23,24)25/h3-10,13H,11-12H2,1-2H3,(H,26,31)
InChIKeyHCFCEEXWHPZVFW-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.39
Rot. Bonds5

About N-[6-[6-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide

N-[6-[6-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide (PubChem CID 158435834) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[6-[6-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[6-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
PubChem CID158435834
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC NameN-[6-[6-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2nc(C3=C(C)N(Cc4ccccc4OC(F)(F)F)CC=C3)ccc2n1
InChIInChI=1S/C22H20F3N5O2/c1-14-17(18-9-10-21-27-20(26-15(2)31)13-30(21)28-18)7-5-11-29(14)12-16-6-3-4-8-19(16)32-22(23,24)25/h3-10,13H,11-12H2,1-2H3,(H,26,31)
InChIKeyHCFCEEXWHPZVFW-UHFFFAOYSA-N
XLogP4.39
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The IUPAC name of N-[6-[6-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide (CID 158435834) is N-[6-[6-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide.
What is the SMILES notation for N-[6-[6-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The canonical SMILES for N-[6-[6-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide is CC(=O)Nc1cn2nc(C3=C(C)N(Cc4ccccc4OC(F)(F)F)CC=C3)ccc2n1.
What is the InChIKey of N-[6-[6-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The InChIKey is HCFCEEXWHPZVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-14-17(18-9-10-21-27-20(26-15(2)31)13-30(21)28-18)7-5-11-29(14)12-16-6-3-4-8-19(16)32-22(23,24)25/h3-10,13H,11-12H2,1-2H3,(H,26,31).
What are the key properties of N-[6-[6-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
N-[6-[6-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide has a molecular weight of 443.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide is sourced from PubChem (CID 158435834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).