ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-b]pyridazine-2-carboxylate

C25H19F2N5O3 — CID 66863597

IUPACethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)ccc2n1
InChIInChI=1S/C25H19F2N5O3/c1-2-35-25(34)19-14-32-23(28-19)9-8-22(30-32)29-24(33)21-12-16-11-18(27)6-7-20(16)31(21)13-15-4-3-5-17(26)10-15/h3-12,14H,2,13H2,1H3,(H,29,30,33)
InChIKeyBMYFEYAMOYEYDX-UHFFFAOYSA-N
MW475.46 g/mol
LogP4.44
Rot. Bonds6

About ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-b]pyridazine-2-carboxylate

ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 66863597) has the molecular formula C25H19F2N5O3 and a molecular weight of 475.46 g/mol. Its IUPAC name is ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID66863597
Molecular FormulaC25H19F2N5O3
Molecular Weight475.46 g/mol
Exact Mass475.15
IUPAC Nameethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)ccc2n1
InChIInChI=1S/C25H19F2N5O3/c1-2-35-25(34)19-14-32-23(28-19)9-8-22(30-32)29-24(33)21-12-16-11-18(27)6-7-20(16)31(21)13-15-4-3-5-17(26)10-15/h3-12,14H,2,13H2,1H3,(H,29,30,33)
InChIKeyBMYFEYAMOYEYDX-UHFFFAOYSA-N
XLogP4.44
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-b]pyridazine-2-carboxylate with MolForge

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Related Compounds

5-[2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67774601
5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-methoxyethyl)indole-3-carboxamide
CID 169551984
N-(6-(1-(2-tert-butoxyethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118538635
6-fluoro-N-(6-(4-(4-fluoro-phenyl)-1,2-dimethyl-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-1H-indole-2-carboxamide
CID 118538742
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 118538943
Ethyl 6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]carbonyl}-amino)imidazo[1,2-a]pyridine-2-carboxylate
CID 23120543
2-(Dimethylamino)ethyl 7-(3-(3-(trifluoromethyl)benzamido)phenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45268879
US9718828, Example, 312
CID 71222806
4-fluoro-N-(6-(4-(4-fluoro-phenyl)-1,2-dimethyl-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-1H-indole-2-carboxamide
CID 118538671
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-8-quinolinecarboxamide
CID 118538808
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-1H-indole-2-carboxamide
CID 118538995
Ethyl 8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 122604085

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-b]pyridazine-2-carboxylate (CID 66863597) is ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-b]pyridazine-2-carboxylate is CCOC(=O)c1cn2nc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)ccc2n1.
What is the InChIKey of ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is BMYFEYAMOYEYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N5O3/c1-2-35-25(34)19-14-32-23(28-19)9-8-22(30-32)29-24(33)21-12-16-11-18(27)6-7-20(16)31(21)13-15-4-3-5-17(26)10-15/h3-12,14H,2,13H2,1H3,(H,29,30,33).
What are the key properties of ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-b]pyridazine-2-carboxylate?
ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 475.46 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 66863597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).