5-bromo-6-fluoro-1H-indazole;5-bromo-6-fluoro-1-methylindazole;6-chloro-3-[(1R)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[(1S)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone;6-fluoro-1-methylindazole-5-carbaldehyde

C118H89Br2Cl6F9N36O4 — CID 160919108

IUPAC5-bromo-6-fluoro-1H-indazole;5-bromo-6-fluoro-1-methylindazole;6-chloro-3-[(1R)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[(1S)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone;6-fluoro-1-methylindazole-5-carbaldehyde
SMILESCC(c1cc2cnn(C)c2cc1F)c1cnc2ccc(Cl)nn12.C[C@@H](c1cc2cnn(C)c2cc1F)c1cnc2ccc(Cl)nn12.C[C@H](c1cc2cnn(C)c2cc1F)c1cnc2ccc(Cl)nn12.Cn1ncc2cc(Br)c(F)cc21.Cn1ncc2cc(C(=O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2cc(C(C)(O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2cc(C(O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2cc(C=O)c(F)cc21.Fc1cc2[nH]ncc2cc1Br
InChIInChI=1S/C16H13ClFN5O.3C16H13ClFN5.C15H11ClFN5O.C15H9ClFN5O.C9H7FN2O.C8H6BrFN2.C7H4BrFN2/c1-16(24,13-8-19-15-4-3-14(17)21-23(13)15)10-5-9-7-20-22(2)12(9)6-11(10)18;3*1-9(14-8-19-16-4-3-15(17)21-23(14)16)11-5-10-7-20-22(2)13(10)6-12(11)18;2*1-21-11-5-10(17)9(4-8(11)6-19-21)15(23)12-7-18-14-3-2-13(16)20-22(12)14;1-12-9-3-8(10)7(5-13)2-6(9)4-11-12;1-12-8-3-7(10)6(9)2-5(8)4-11-12;8-5-1-4-3-10-11-7(4)2-6(5)9/h3-8,24H,1-2H3;3*3-9H,1-2H3;2-7,15,23H,1H3;2-7H,1H3;2-5H,1H3;2-4H,1H3;1-3H,(H,10,11)/t;2*9-;;;;;;/m.10....../s1
InChIKeySRUIPNLZGFEUPO-OPBBERRWSA-N
MW2618.77 g/mol
LogP24.94
Rot. Bonds13

About 5-bromo-6-fluoro-1H-indazole;5-bromo-6-fluoro-1-methylindazole;6-chloro-3-[(1R)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[(1S)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone;6-fluoro-1-methylindazole-5-carbaldehyde

5-bromo-6-fluoro-1H-indazole;5-bromo-6-fluoro-1-methylindazole;6-chloro-3-[(1R)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[(1S)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone;6-fluoro-1-methylindazole-5-carbaldehyde (PubChem CID 160919108) has the molecular formula C118H89Br2Cl6F9N36O4 and a molecular weight of 2618.77 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1H-indazole;5-bromo-6-fluoro-1-methylindazole;6-chloro-3-[(1R)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[(1S)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone;6-fluoro-1-methylindazole-5-carbaldehyde.

Molecular Properties

Compound Name5-bromo-6-fluoro-1H-indazole;5-bromo-6-fluoro-1-methylindazole;6-chloro-3-[(1R)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[(1S)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone;6-fluoro-1-methylindazole-5-carbaldehyde
PubChem CID160919108
Molecular FormulaC118H89Br2Cl6F9N36O4
Molecular Weight2618.77 g/mol
Exact Mass2612.42
IUPAC Name5-bromo-6-fluoro-1H-indazole;5-bromo-6-fluoro-1-methylindazole;6-chloro-3-[(1R)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[(1S)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone;6-fluoro-1-methylindazole-5-carbaldehyde
SMILESCC(c1cc2cnn(C)c2cc1F)c1cnc2ccc(Cl)nn12.C[C@@H](c1cc2cnn(C)c2cc1F)c1cnc2ccc(Cl)nn12.C[C@H](c1cc2cnn(C)c2cc1F)c1cnc2ccc(Cl)nn12.Cn1ncc2cc(Br)c(F)cc21.Cn1ncc2cc(C(=O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2cc(C(C)(O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2cc(C(O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2cc(C=O)c(F)cc21.Fc1cc2[nH]ncc2cc1Br
InChIInChI=1S/C16H13ClFN5O.3C16H13ClFN5.C15H11ClFN5O.C15H9ClFN5O.C9H7FN2O.C8H6BrFN2.C7H4BrFN2/c1-16(24,13-8-19-15-4-3-14(17)21-23(13)15)10-5-9-7-20-22(2)12(9)6-11(10)18;3*1-9(14-8-19-16-4-3-15(17)21-23(14)16)11-5-10-7-20-22(2)13(10)6-12(11)18;2*1-21-11-5-10(17)9(4-8(11)6-19-21)15(23)12-7-18-14-3-2-13(16)20-22(12)14;1-12-9-3-8(10)7(5-13)2-6(9)4-11-12;1-12-8-3-7(10)6(9)2-5(8)4-11-12;8-5-1-4-3-10-11-7(4)2-6(5)9/h3-8,24H,1-2H3;3*3-9H,1-2H3;2-7,15,23H,1H3;2-7H,1H3;2-5H,1H3;2-4H,1H3;1-3H,(H,10,11)/t;2*9-;;;;;;/m.10....../s1
InChIKeySRUIPNLZGFEUPO-OPBBERRWSA-N
XLogP24.94
TPSA426.98 Ų
H-Bond Donors3
H-Bond Acceptors39
Rotatable Bonds13
Heavy Atoms175
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002618.77
LogP ≤ 524.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 5-bromo-6-fluoro-1H-indazole;5-bromo-6-fluoro-1-methylindazole;6-chloro-3-[(1R)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[(1S)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone;6-fluoro-1-methylindazole-5-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1H-indazole;5-bromo-6-fluoro-1-methylindazole;6-chloro-3-[(1R)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[(1S)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone;6-fluoro-1-methylindazole-5-carbaldehyde?
The IUPAC name of 5-bromo-6-fluoro-1H-indazole;5-bromo-6-fluoro-1-methylindazole;6-chloro-3-[(1R)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[(1S)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone;6-fluoro-1-methylindazole-5-carbaldehyde (CID 160919108) is 5-bromo-6-fluoro-1H-indazole;5-bromo-6-fluoro-1-methylindazole;6-chloro-3-[(1R)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[(1S)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone;6-fluoro-1-methylindazole-5-carbaldehyde.
What is the SMILES notation for 5-bromo-6-fluoro-1H-indazole;5-bromo-6-fluoro-1-methylindazole;6-chloro-3-[(1R)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[(1S)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone;6-fluoro-1-methylindazole-5-carbaldehyde?
The canonical SMILES for 5-bromo-6-fluoro-1H-indazole;5-bromo-6-fluoro-1-methylindazole;6-chloro-3-[(1R)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[(1S)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone;6-fluoro-1-methylindazole-5-carbaldehyde is CC(c1cc2cnn(C)c2cc1F)c1cnc2ccc(Cl)nn12.C[C@@H](c1cc2cnn(C)c2cc1F)c1cnc2ccc(Cl)nn12.C[C@H](c1cc2cnn(C)c2cc1F)c1cnc2ccc(Cl)nn12.Cn1ncc2cc(Br)c(F)cc21.Cn1ncc2cc(C(=O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2cc(C(C)(O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2cc(C(O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2cc(C=O)c(F)cc21.Fc1cc2[nH]ncc2cc1Br.
What is the InChIKey of 5-bromo-6-fluoro-1H-indazole;5-bromo-6-fluoro-1-methylindazole;6-chloro-3-[(1R)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[(1S)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone;6-fluoro-1-methylindazole-5-carbaldehyde?
The InChIKey is SRUIPNLZGFEUPO-OPBBERRWSA-N. The full InChI is InChI=1S/C16H13ClFN5O.3C16H13ClFN5.C15H11ClFN5O.C15H9ClFN5O.C9H7FN2O.C8H6BrFN2.C7H4BrFN2/c1-16(24,13-8-19-15-4-3-14(17)21-23(13)15)10-5-9-7-20-22(2)12(9)6-11(10)18;3*1-9(14-8-19-16-4-3-15(17)21-23(14)16)11-5-10-7-20-22(2)13(10)6-12(11)18;2*1-21-11-5-10(17)9(4-8(11)6-19-21)15(23)12-7-18-14-3-2-13(16)20-22(12)14;1-12-9-3-8(10)7(5-13)2-6(9)4-11-12;1-12-8-3-7(10)6(9)2-5(8)4-11-12;8-5-1-4-3-10-11-7(4)2-6(5)9/h3-8,24H,1-2H3;3*3-9H,1-2H3;2-7,15,23H,1H3;2-7H,1H3;2-5H,1H3;2-4H,1H3;1-3H,(H,10,11)/t;2*9-;;;;;;/m.10....../s1.
What are the key properties of 5-bromo-6-fluoro-1H-indazole;5-bromo-6-fluoro-1-methylindazole;6-chloro-3-[(1R)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[(1S)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone;6-fluoro-1-methylindazole-5-carbaldehyde?
5-bromo-6-fluoro-1H-indazole;5-bromo-6-fluoro-1-methylindazole;6-chloro-3-[(1R)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[(1S)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone;6-fluoro-1-methylindazole-5-carbaldehyde has a molecular weight of 2618.77 g/mol, XLogP of 24.94, 13 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1H-indazole;5-bromo-6-fluoro-1-methylindazole;6-chloro-3-[(1R)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[(1S)-1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanone;6-fluoro-1-methylindazole-5-carbaldehyde is sourced from PubChem (CID 160919108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).