magnesium;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(5,7-difluoroquinolin-6-yl)methanol;5,7-difluoroquinoline-6-carbaldehyde;1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol;ethane;bromide

C71H49Br2Cl2F8MgN17O6 — CID 172971647

IUPACmagnesium;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(5,7-difluoroquinolin-6-yl)methanol;5,7-difluoroquinoline-6-carbaldehyde;1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol;ethane;bromide
SMILESCC(=O)c1ccc2ncc(C(O)c3c(F)cc4ncccc4c3F)n2n1.CO/N=C(\C)c1ccc2ncc(C(O)c3c(F)cc4ncccc4c3F)n2n1.Clc1ccc2ncc(Br)n2n1.O=Cc1c(F)cc2ncccc2c1F.OC(c1c(F)cc2ncccc2c1F)c1cnc2ccc(Cl)nn12.[Br-].[CH2-]C.[Mg+2]
InChIInChI=1S/C19H15F2N5O2.C18H12F2N4O2.C16H9ClF2N4O.C10H5F2NO.C6H3BrClN3.C2H5.BrH.Mg/c1-10(25-28-2)13-5-6-16-23-9-15(26(16)24-13)19(27)17-12(20)8-14-11(18(17)21)4-3-7-22-14;1-9(25)12-4-5-15-22-8-14(24(15)23-12)18(26)16-11(19)7-13-10(17(16)20)3-2-6-21-13;17-12-3-4-13-21-7-11(23(13)22-12)16(24)14-9(18)6-10-8(15(14)19)2-1-5-20-10;11-8-4-9-6(2-1-3-13-9)10(12)7(8)5-14;7-4-3-9-6-2-1-5(8)10-11(4)6;1-2;;/h3-9,19,27H,1-2H3;2-8,18,26H,1H3;1-7,16,24H;1-5H;1-3H;1H2,2H3;1H;/q;;;;;-1;;+2/p-1/b25-10+;;;;;;;
InChIKeyUIRXXEGJNWIINS-BGWHWDSOSA-M
MW1643.29 g/mol
LogP11.07
Rot. Bonds10

About magnesium;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(5,7-difluoroquinolin-6-yl)methanol;5,7-difluoroquinoline-6-carbaldehyde;1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol;ethane;bromide

magnesium;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(5,7-difluoroquinolin-6-yl)methanol;5,7-difluoroquinoline-6-carbaldehyde;1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol;ethane;bromide (PubChem CID 172971647) has the molecular formula C71H49Br2Cl2F8MgN17O6 and a molecular weight of 1643.29 g/mol. Its IUPAC name is magnesium;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(5,7-difluoroquinolin-6-yl)methanol;5,7-difluoroquinoline-6-carbaldehyde;1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol;ethane;bromide.

Molecular Properties

Compound Namemagnesium;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(5,7-difluoroquinolin-6-yl)methanol;5,7-difluoroquinoline-6-carbaldehyde;1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol;ethane;bromide
PubChem CID172971647
Molecular FormulaC71H49Br2Cl2F8MgN17O6
Molecular Weight1643.29 g/mol
Exact Mass1639.15
IUPAC Namemagnesium;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(5,7-difluoroquinolin-6-yl)methanol;5,7-difluoroquinoline-6-carbaldehyde;1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol;ethane;bromide
SMILESCC(=O)c1ccc2ncc(C(O)c3c(F)cc4ncccc4c3F)n2n1.CO/N=C(\C)c1ccc2ncc(C(O)c3c(F)cc4ncccc4c3F)n2n1.Clc1ccc2ncc(Br)n2n1.O=Cc1c(F)cc2ncccc2c1F.OC(c1c(F)cc2ncccc2c1F)c1cnc2ccc(Cl)nn12.[Br-].[CH2-]C.[Mg+2]
InChIInChI=1S/C19H15F2N5O2.C18H12F2N4O2.C16H9ClF2N4O.C10H5F2NO.C6H3BrClN3.C2H5.BrH.Mg/c1-10(25-28-2)13-5-6-16-23-9-15(26(16)24-13)19(27)17-12(20)8-14-11(18(17)21)4-3-7-22-14;1-9(25)12-4-5-15-22-8-14(24(15)23-12)18(26)16-11(19)7-13-10(17(16)20)3-2-6-21-13;17-12-3-4-13-21-7-11(23(13)22-12)16(24)14-9(18)6-10-8(15(14)19)2-1-5-20-10;11-8-4-9-6(2-1-3-13-9)10(12)7(8)5-14;7-4-3-9-6-2-1-5(8)10-11(4)6;1-2;;/h3-9,19,27H,1-2H3;2-8,18,26H,1H3;1-7,16,24H;1-5H;1-3H;1H2,2H3;1H;/q;;;;;-1;;+2/p-1/b25-10+;;;;;;;
InChIKeyUIRXXEGJNWIINS-BGWHWDSOSA-M
XLogP11.07
TPSA288.74 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds10
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001643.29
LogP ≤ 511.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze magnesium;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(5,7-difluoroquinolin-6-yl)methanol;5,7-difluoroquinoline-6-carbaldehyde;1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol;ethane;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(5,7-difluoroquinolin-6-yl)methanol;5,7-difluoroquinoline-6-carbaldehyde;1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol;ethane;bromide?
The IUPAC name of magnesium;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(5,7-difluoroquinolin-6-yl)methanol;5,7-difluoroquinoline-6-carbaldehyde;1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol;ethane;bromide (CID 172971647) is magnesium;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(5,7-difluoroquinolin-6-yl)methanol;5,7-difluoroquinoline-6-carbaldehyde;1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol;ethane;bromide.
What is the SMILES notation for magnesium;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(5,7-difluoroquinolin-6-yl)methanol;5,7-difluoroquinoline-6-carbaldehyde;1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol;ethane;bromide?
The canonical SMILES for magnesium;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(5,7-difluoroquinolin-6-yl)methanol;5,7-difluoroquinoline-6-carbaldehyde;1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol;ethane;bromide is CC(=O)c1ccc2ncc(C(O)c3c(F)cc4ncccc4c3F)n2n1.CO/N=C(\C)c1ccc2ncc(C(O)c3c(F)cc4ncccc4c3F)n2n1.Clc1ccc2ncc(Br)n2n1.O=Cc1c(F)cc2ncccc2c1F.OC(c1c(F)cc2ncccc2c1F)c1cnc2ccc(Cl)nn12.[Br-].[CH2-]C.[Mg+2].
What is the InChIKey of magnesium;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(5,7-difluoroquinolin-6-yl)methanol;5,7-difluoroquinoline-6-carbaldehyde;1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol;ethane;bromide?
The InChIKey is UIRXXEGJNWIINS-BGWHWDSOSA-M. The full InChI is InChI=1S/C19H15F2N5O2.C18H12F2N4O2.C16H9ClF2N4O.C10H5F2NO.C6H3BrClN3.C2H5.BrH.Mg/c1-10(25-28-2)13-5-6-16-23-9-15(26(16)24-13)19(27)17-12(20)8-14-11(18(17)21)4-3-7-22-14;1-9(25)12-4-5-15-22-8-14(24(15)23-12)18(26)16-11(19)7-13-10(17(16)20)3-2-6-21-13;17-12-3-4-13-21-7-11(23(13)22-12)16(24)14-9(18)6-10-8(15(14)19)2-1-5-20-10;11-8-4-9-6(2-1-3-13-9)10(12)7(8)5-14;7-4-3-9-6-2-1-5(8)10-11(4)6;1-2;;/h3-9,19,27H,1-2H3;2-8,18,26H,1H3;1-7,16,24H;1-5H;1-3H;1H2,2H3;1H;/q;;;;;-1;;+2/p-1/b25-10+;;;;;;;.
What are the key properties of magnesium;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(5,7-difluoroquinolin-6-yl)methanol;5,7-difluoroquinoline-6-carbaldehyde;1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol;ethane;bromide?
magnesium;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(5,7-difluoroquinolin-6-yl)methanol;5,7-difluoroquinoline-6-carbaldehyde;1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol;ethane;bromide has a molecular weight of 1643.29 g/mol, XLogP of 11.07, 10 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(5,7-difluoroquinolin-6-yl)methanol;5,7-difluoroquinoline-6-carbaldehyde;1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol;ethane;bromide is sourced from PubChem (CID 172971647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).