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

C21H15F3N4O2 — CID 16824841

IUPACN-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc2nc(-c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)cn2n1
InChIInChI=1S/C21H15F3N4O2/c1-30-19-10-9-18-26-17(12-28(18)27-19)14-3-2-4-16(11-14)25-20(29)13-5-7-15(8-6-13)21(22,23)24/h2-12H,1H3,(H,25,29)
InChIKeyFNDQBHJCVMPUIR-UHFFFAOYSA-N
MW412.37 g/mol
LogP4.68
Rot. Bonds4

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

N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 16824841) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID16824841
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC NameN-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc2nc(-c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)cn2n1
InChIInChI=1S/C21H15F3N4O2/c1-30-19-10-9-18-26-17(12-28(18)27-19)14-3-2-4-16(11-14)25-20(29)13-5-7-15(8-6-13)21(22,23)24/h2-12H,1H3,(H,25,29)
InChIKeyFNDQBHJCVMPUIR-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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Related Compounds

Bay-1217389
CID 78320750
1-[3-(4-Amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)phenyl]-3-(4-phenylmethoxyphenyl)urea
CID 16739855
N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-fluorobenzamide
CID 57708566
N-cyclopropyl-4-[6-(3-fluoro-4-methoxybenzoyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735277
N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
2-Methoxy-4-[6-(Propan-2-Ylamino)imidazo[1,2-B]pyridazin-3-Yl]benzamide
CID 136664429
N-[2-(dimethylamino)ethyl]-4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]benzamide
CID 91299904
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-4-[[4-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]benzamide
CID 76285527
N-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-4-[[4-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]benzamide
CID 76285528
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2512205
2-fluoro-N-(3-fluoro-4-(5-methylpyrrolo[1,2-f][1,2,4]triazin-4-yloxy)phenyl)benzamide
CID 11703607

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-4-(trifluoromethyl)benzamide (CID 16824841) is N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-4-(trifluoromethyl)benzamide is COc1ccc2nc(-c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)cn2n1.
What is the InChIKey of N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is FNDQBHJCVMPUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c1-30-19-10-9-18-26-17(12-28(18)27-19)14-3-2-4-16(11-14)25-20(29)13-5-7-15(8-6-13)21(22,23)24/h2-12H,1H3,(H,25,29).
What are the key properties of N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-4-(trifluoromethyl)benzamide?
N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-4-(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-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 16824841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).