N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide

C21H15F3N4O2 — CID 16824929

IUPACN-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc2nc(-c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3)cn2n1
InChIInChI=1S/C21H15F3N4O2/c1-30-19-10-9-18-26-17(12-28(18)27-19)13-5-7-16(8-6-13)25-20(29)14-3-2-4-15(11-14)21(22,23)24/h2-12H,1H3,(H,25,29)
InChIKeyMDGTVKKYSPOENP-UHFFFAOYSA-N
MW412.37 g/mol
LogP4.68
Rot. Bonds4

About N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide

N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 16824929) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID16824929
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC NameN-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc2nc(-c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3)cn2n1
InChIInChI=1S/C21H15F3N4O2/c1-30-19-10-9-18-26-17(12-28(18)27-19)13-5-7-16(8-6-13)25-20(29)14-3-2-4-15(11-14)21(22,23)24/h2-12H,1H3,(H,25,29)
InChIKeyMDGTVKKYSPOENP-UHFFFAOYSA-N
XLogP4.68
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 16824929) is N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide is COc1ccc2nc(-c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3)cn2n1.
What is the InChIKey of N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is MDGTVKKYSPOENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c1-30-19-10-9-18-26-17(12-28(18)27-19)13-5-7-16(8-6-13)25-20(29)14-3-2-4-15(11-14)21(22,23)24/h2-12H,1H3,(H,25,29).
What are the key properties of N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 412.37 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 16824929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).