N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide

C21H14F4N4O2 — CID 16824957

IUPACN-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc2nc(-c3ccc(F)c(NC(=O)c4cccc(C(F)(F)F)c4)c3)cn2n1
InChIInChI=1S/C21H14F4N4O2/c1-31-19-8-7-18-26-17(11-29(18)28-19)12-5-6-15(22)16(10-12)27-20(30)13-3-2-4-14(9-13)21(23,24)25/h2-11H,1H3,(H,27,30)
InChIKeyKSWMIGYFKGZYGL-UHFFFAOYSA-N
MW430.36 g/mol
LogP4.82
Rot. Bonds4

About N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide

N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 16824957) has the molecular formula C21H14F4N4O2 and a molecular weight of 430.36 g/mol. Its IUPAC name is N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID16824957
Molecular FormulaC21H14F4N4O2
Molecular Weight430.36 g/mol
Exact Mass430.11
IUPAC NameN-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc2nc(-c3ccc(F)c(NC(=O)c4cccc(C(F)(F)F)c4)c3)cn2n1
InChIInChI=1S/C21H14F4N4O2/c1-31-19-8-7-18-26-17(11-29(18)28-19)12-5-6-15(22)16(10-12)27-20(30)13-3-2-4-14(9-13)21(23,24)25/h2-11H,1H3,(H,27,30)
InChIKeyKSWMIGYFKGZYGL-UHFFFAOYSA-N
XLogP4.82
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 16824957) is N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide is COc1ccc2nc(-c3ccc(F)c(NC(=O)c4cccc(C(F)(F)F)c4)c3)cn2n1.
What is the InChIKey of N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KSWMIGYFKGZYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O2/c1-31-19-8-7-18-26-17(11-29(18)28-19)12-5-6-15(22)16(10-12)27-20(30)13-3-2-4-14(9-13)21(23,24)25/h2-11H,1H3,(H,27,30).
What are the key properties of N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 430.36 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 16824957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).