N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide

C22H17F3N4O2 — CID 16824901

IUPACN-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(C(F)(F)F)cc4)c3)cn2n1
InChIInChI=1S/C22H17F3N4O2/c1-13-3-4-15(18-12-29-19(26-18)9-10-20(28-29)31-2)11-17(13)27-21(30)14-5-7-16(8-6-14)22(23,24)25/h3-12H,1-2H3,(H,27,30)
InChIKeyUFELNHPMEVXIJV-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.98
Rot. Bonds4

About N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide

N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide (PubChem CID 16824901) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide
PubChem CID16824901
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC NameN-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(C(F)(F)F)cc4)c3)cn2n1
InChIInChI=1S/C22H17F3N4O2/c1-13-3-4-15(18-12-29-19(26-18)9-10-20(28-29)31-2)11-17(13)27-21(30)14-5-7-16(8-6-14)22(23,24)25/h3-12H,1-2H3,(H,27,30)
InChIKeyUFELNHPMEVXIJV-UHFFFAOYSA-N
XLogP4.98
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide (CID 16824901) is N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide is COc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(C(F)(F)F)cc4)c3)cn2n1.
What is the InChIKey of N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is UFELNHPMEVXIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-13-3-4-15(18-12-29-19(26-18)9-10-20(28-29)31-2)11-17(13)27-21(30)14-5-7-16(8-6-14)22(23,24)25/h3-12H,1-2H3,(H,27,30).
What are the key properties of N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide?
N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 426.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 16824901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).