N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane

C18H15F3N6O — CID 159160945

IUPACN-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane
SMILESC.O=C(Nc1cn2nc(-n3ccnc3)ccc2n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H11F3N6O.CH4/c18-17(19,20)12-3-1-11(2-4-12)16(27)23-13-9-26-14(22-13)5-6-15(24-26)25-8-7-21-10-25;/h1-10H,(H,23,27);1H4
InChIKeyKKLZPYDZUMRVKC-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.82
Rot. Bonds3

About N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane

N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane (PubChem CID 159160945) has the molecular formula C18H15F3N6O and a molecular weight of 388.35 g/mol. Its IUPAC name is N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane.

Molecular Properties

Compound NameN-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane
PubChem CID159160945
Molecular FormulaC18H15F3N6O
Molecular Weight388.35 g/mol
Exact Mass388.13
IUPAC NameN-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane
SMILESC.O=C(Nc1cn2nc(-n3ccnc3)ccc2n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H11F3N6O.CH4/c18-17(19,20)12-3-1-11(2-4-12)16(27)23-13-9-26-14(22-13)5-6-15(24-26)25-8-7-21-10-25;/h1-10H,(H,23,27);1H4
InChIKeyKKLZPYDZUMRVKC-UHFFFAOYSA-N
XLogP3.82
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide
CID 59175622
N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-2,5-dimethylfuran-3-carboxamide
CID 59175529
4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 59175265
4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 59175252
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 121112592
4-tert-butyl-N-[6-(4-phenylimidazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide;2,2,2-trifluoroacetic acid
CID 162323926
4-tert-butyl-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide;methanesulfonic acid
CID 86638590
4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide
CID 59175581
4-tert-butyl-N-[6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide;2,2,2-trifluoroacetic acid
CID 157242131
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-4-imidazol-1-ylbenzamide
CID 59252090
N-[6-(azepan-1-yl)imidazo[1,2-b]pyridazin-2-yl]-4-tert-butylbenzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid
CID 159726042
N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[1-(methanesulfonamido)-2-methylpropan-2-yl]benzamide
CID 59175320

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane?
The IUPAC name of N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane (CID 159160945) is N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane.
What is the SMILES notation for N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane?
The canonical SMILES for N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane is C.O=C(Nc1cn2nc(-n3ccnc3)ccc2n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane?
The InChIKey is KKLZPYDZUMRVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6O.CH4/c18-17(19,20)12-3-1-11(2-4-12)16(27)23-13-9-26-14(22-13)5-6-15(24-26)25-8-7-21-10-25;/h1-10H,(H,23,27);1H4.
What are the key properties of N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane?
N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane has a molecular weight of 388.35 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-4-(trifluoromethyl)benzamide;methane is sourced from PubChem (CID 159160945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).