2-chloro-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid

C21H20ClF6N5O6 — CID 161074242

IUPAC2-chloro-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid
SMILESFC(F)F.O=C(Nc1cn2nc(N3CCOCC3)ccc2n1)c1ccccc1Cl.O=C(O)C(F)(F)F.O=CO
InChIInChI=1S/C17H16ClN5O2.C2HF3O2.CHF3.CH2O2/c18-13-4-2-1-3-12(13)17(24)20-14-11-23-15(19-14)5-6-16(21-23)22-7-9-25-10-8-22;3-2(4,5)1(6)7;2-1(3)4;2-1-3/h1-6,11H,7-10H2,(H,20,24);(H,6,7);1H;1H,(H,2,3)
InChIKeyWAXFMFGMHNPLJO-UHFFFAOYSA-N
MW587.86 g/mol
LogP3.98
Rot. Bonds3

About 2-chloro-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid

2-chloro-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid (PubChem CID 161074242) has the molecular formula C21H20ClF6N5O6 and a molecular weight of 587.86 g/mol. Its IUPAC name is 2-chloro-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-chloro-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid
PubChem CID161074242
Molecular FormulaC21H20ClF6N5O6
Molecular Weight587.86 g/mol
Exact Mass587.10
IUPAC Name2-chloro-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid
SMILESFC(F)F.O=C(Nc1cn2nc(N3CCOCC3)ccc2n1)c1ccccc1Cl.O=C(O)C(F)(F)F.O=CO
InChIInChI=1S/C17H16ClN5O2.C2HF3O2.CHF3.CH2O2/c18-13-4-2-1-3-12(13)17(24)20-14-11-23-15(19-14)5-6-16(21-23)22-7-9-25-10-8-22;3-2(4,5)1(6)7;2-1(3)4;2-1-3/h1-6,11H,7-10H2,(H,20,24);(H,6,7);1H;1H,(H,2,3)
InChIKeyWAXFMFGMHNPLJO-UHFFFAOYSA-N
XLogP3.98
TPSA146.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.86
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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
4-tert-butyl-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;formic acid;hydroperoxymethane
CID 159619861
N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-4-propylbenzamide
CID 59175296
2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544108
4-tert-butyl-N-[6-(4-phenylimidazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide;2,2,2-trifluoroacetic acid
CID 162323926
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 118538790
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537123
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 76684549
4-(2-piperidin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155844712
3-[(2-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146053623
N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 952438

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-chloro-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid (CID 161074242) is 2-chloro-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-chloro-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-chloro-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid is FC(F)F.O=C(Nc1cn2nc(N3CCOCC3)ccc2n1)c1ccccc1Cl.O=C(O)C(F)(F)F.O=CO.
What is the InChIKey of 2-chloro-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid?
The InChIKey is WAXFMFGMHNPLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2.C2HF3O2.CHF3.CH2O2/c18-13-4-2-1-3-12(13)17(24)20-14-11-23-15(19-14)5-6-16(21-23)22-7-9-25-10-8-22;3-2(4,5)1(6)7;2-1(3)4;2-1-3/h1-6,11H,7-10H2,(H,20,24);(H,6,7);1H;1H,(H,2,3).
What are the key properties of 2-chloro-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid?
2-chloro-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid has a molecular weight of 587.86 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)benzamide;fluoroform;formic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161074242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).