dicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride

C96H105BrCl5Cs2F3N28O7 — CID 167639730

IUPACdicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride
SMILESCC#N.Cc1cn2nc(-c3cc(F)c4cc(C5CCCCC5)nnc4c3)cc(OCCCn3cccn3)c2n1.Cc1cn2nc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)cc(OCCCn3cccn3)c2n1.Cc1cn2nc(Cl)cc(Br)c2n1.Cc1cn2nc(Cl)cc(OCCCn3cccn3)c2n1.Cl.Cl.Fc1cc(Cl)cc2nnc(C3CCCCC3)cc12.O=CO[O-].OCCCn1cccn1.[Cs+].[Cs+].[H-]
InChIInChI=1S/C27H28FN7O.C26H27FN8O.C14H14ClFN2.C13H14ClN5O.C7H5BrClN3.C6H10N2O.C2H3N.CH2O3.2ClH.2Cs.H/c1-18-17-35-27(30-18)26(36-12-6-11-34-10-5-9-29-34)16-24(33-35)20-13-22(28)21-15-23(31-32-25(21)14-20)19-7-3-2-4-8-19;1-17-16-35-26(30-17)25(36-11-3-10-34-9-2-6-29-34)15-23(33-35)19-12-21(27)20-14-22(31-32-24(20)13-19)18-4-7-28-8-5-18;15-10-6-12(16)11-8-13(17-18-14(11)7-10)9-4-2-1-3-5-9;1-10-9-19-13(16-10)11(8-12(14)17-19)20-7-3-6-18-5-2-4-15-18;1-4-3-12-7(10-4)5(8)2-6(9)11-12;9-6-2-5-8-4-1-3-7-8;1-2-3;2-1-4-3;;;;;/h5,9-10,13-17,19H,2-4,6-8,11-12H2,1H3;2,6,9,12-16,18,28H,3-5,7-8,10-11H2,1H3;6-9H,1-5H2;2,4-5,8-9H,3,6-7H2,1H3;2-3H,1H3;1,3-4,9H,2,5-6H2;1H3;1,3H;2*1H;;;/q;;;;;;;;;;2*+1;-1/p-1
InChIKeyCYJAELSIHNICJF-UHFFFAOYSA-M
MW2343.06 g/mol
LogP12.89
Rot. Bonds24

About dicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride

dicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride (PubChem CID 167639730) has the molecular formula C96H105BrCl5Cs2F3N28O7 and a molecular weight of 2343.06 g/mol. Its IUPAC name is dicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride.

Molecular Properties

Compound Namedicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride
PubChem CID167639730
Molecular FormulaC96H105BrCl5Cs2F3N28O7
Molecular Weight2343.06 g/mol
Exact Mass2338.44
IUPAC Namedicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride
SMILESCC#N.Cc1cn2nc(-c3cc(F)c4cc(C5CCCCC5)nnc4c3)cc(OCCCn3cccn3)c2n1.Cc1cn2nc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)cc(OCCCn3cccn3)c2n1.Cc1cn2nc(Cl)cc(Br)c2n1.Cc1cn2nc(Cl)cc(OCCCn3cccn3)c2n1.Cl.Cl.Fc1cc(Cl)cc2nnc(C3CCCCC3)cc12.O=CO[O-].OCCCn1cccn1.[Cs+].[Cs+].[H-]
InChIInChI=1S/C27H28FN7O.C26H27FN8O.C14H14ClFN2.C13H14ClN5O.C7H5BrClN3.C6H10N2O.C2H3N.CH2O3.2ClH.2Cs.H/c1-18-17-35-27(30-18)26(36-12-6-11-34-10-5-9-29-34)16-24(33-35)20-13-22(28)21-15-23(31-32-25(21)14-20)19-7-3-2-4-8-19;1-17-16-35-26(30-17)25(36-11-3-10-34-9-2-6-29-34)15-23(33-35)19-12-21(27)20-14-22(31-32-24(20)13-19)18-4-7-28-8-5-18;15-10-6-12(16)11-8-13(17-18-14(11)7-10)9-4-2-1-3-5-9;1-10-9-19-13(16-10)11(8-12(14)17-19)20-7-3-6-18-5-2-4-15-18;1-4-3-12-7(10-4)5(8)2-6(9)11-12;9-6-2-5-8-4-1-3-7-8;1-2-3;2-1-4-3;;;;;/h5,9-10,13-17,19H,2-4,6-8,11-12H2,1H3;2,6,9,12-16,18,28H,3-5,7-8,10-11H2,1H3;6-9H,1-5H2;2,4-5,8-9H,3,6-7H2,1H3;2-3H,1H3;1,3-4,9H,2,5-6H2;1H3;1,3H;2*1H;;;/q;;;;;;;;;;2*+1;-1/p-1
InChIKeyCYJAELSIHNICJF-UHFFFAOYSA-M
XLogP12.89
TPSA402.48 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds24
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002343.06
LogP ≤ 512.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of dicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride?
The IUPAC name of dicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride (CID 167639730) is dicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride.
What is the SMILES notation for dicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride?
The canonical SMILES for dicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride is CC#N.Cc1cn2nc(-c3cc(F)c4cc(C5CCCCC5)nnc4c3)cc(OCCCn3cccn3)c2n1.Cc1cn2nc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)cc(OCCCn3cccn3)c2n1.Cc1cn2nc(Cl)cc(Br)c2n1.Cc1cn2nc(Cl)cc(OCCCn3cccn3)c2n1.Cl.Cl.Fc1cc(Cl)cc2nnc(C3CCCCC3)cc12.O=CO[O-].OCCCn1cccn1.[Cs+].[Cs+].[H-].
What is the InChIKey of dicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride?
The InChIKey is CYJAELSIHNICJF-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H28FN7O.C26H27FN8O.C14H14ClFN2.C13H14ClN5O.C7H5BrClN3.C6H10N2O.C2H3N.CH2O3.2ClH.2Cs.H/c1-18-17-35-27(30-18)26(36-12-6-11-34-10-5-9-29-34)16-24(33-35)20-13-22(28)21-15-23(31-32-25(21)14-20)19-7-3-2-4-8-19;1-17-16-35-26(30-17)25(36-11-3-10-34-9-2-6-29-34)15-23(33-35)19-12-21(27)20-14-22(31-32-24(20)13-19)18-4-7-28-8-5-18;15-10-6-12(16)11-8-13(17-18-14(11)7-10)9-4-2-1-3-5-9;1-10-9-19-13(16-10)11(8-12(14)17-19)20-7-3-6-18-5-2-4-15-18;1-4-3-12-7(10-4)5(8)2-6(9)11-12;9-6-2-5-8-4-1-3-7-8;1-2-3;2-1-4-3;;;;;/h5,9-10,13-17,19H,2-4,6-8,11-12H2,1H3;2,6,9,12-16,18,28H,3-5,7-8,10-11H2,1H3;6-9H,1-5H2;2,4-5,8-9H,3,6-7H2,1H3;2-3H,1H3;1,3-4,9H,2,5-6H2;1H3;1,3H;2*1H;;;/q;;;;;;;;;;2*+1;-1/p-1.
What are the key properties of dicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride?
dicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride has a molecular weight of 2343.06 g/mol, XLogP of 12.89, 24 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride is sourced from PubChem (CID 167639730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).