8-bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine

C39H36BrN9O4 — CID 158284371

IUPAC8-bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine
SMILESBrc1cc(-c2ccccc2)nn2ccnc12.COc1ccc(Cc2cc(-c3ccccc3)nn3ccnc23)nc1OC.COc1ccc(N)nc1OC
InChIInChI=1S/C20H18N4O2.C12H8BrN3.C7H10N2O2/c1-25-18-9-8-16(22-20(18)26-2)12-15-13-17(14-6-4-3-5-7-14)23-24-11-10-21-19(15)24;13-10-8-11(9-4-2-1-3-5-9)15-16-7-6-14-12(10)16;1-10-5-3-4-6(8)9-7(5)11-2/h3-11,13H,12H2,1-2H3;1-8H;3-4H,1-2H3,(H2,8,9)
InChIKeyGKPDBHSFORWWRN-UHFFFAOYSA-N
MW774.68 g/mol
LogP7.24
Rot. Bonds8

About 8-bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine

8-bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine (PubChem CID 158284371) has the molecular formula C39H36BrN9O4 and a molecular weight of 774.68 g/mol. Its IUPAC name is 8-bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine
PubChem CID158284371
Molecular FormulaC39H36BrN9O4
Molecular Weight774.68 g/mol
Exact Mass773.21
IUPAC Name8-bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine
SMILESBrc1cc(-c2ccccc2)nn2ccnc12.COc1ccc(Cc2cc(-c3ccccc3)nn3ccnc23)nc1OC.COc1ccc(N)nc1OC
InChIInChI=1S/C20H18N4O2.C12H8BrN3.C7H10N2O2/c1-25-18-9-8-16(22-20(18)26-2)12-15-13-17(14-6-4-3-5-7-14)23-24-11-10-21-19(15)24;13-10-8-11(9-4-2-1-3-5-9)15-16-7-6-14-12(10)16;1-10-5-3-4-6(8)9-7(5)11-2/h3-11,13H,12H2,1-2H3;1-8H;3-4H,1-2H3,(H2,8,9)
InChIKeyGKPDBHSFORWWRN-UHFFFAOYSA-N
XLogP7.24
TPSA149.10 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500774.68
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 8-bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine with MolForge

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Related Compounds

N-(5,6-dimethoxypyridin-2-yl)-6-phenylimidazo[1,2-b]pyridazin-8-amine
CID 71525990
6-(5-methoxypyridin-3-yl)-N-(6-(2-methylpyrrolidin-1-yl)pyridin-2-yl)imidazo[1,2-b]pyridazin-8-amine
CID 71526616
US10544143, Example 190
CID 138686244
US10544143, Example 115
CID 138686483
US10544143, Example 208
CID 138686959
US10544143, Example 110
CID 138687119
N-[6-(aminomethyl)-2-pyridinyl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 171783716
6-N-[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyridine-2,6-diamine
CID 171783765
5-(5,6-dimethoxy-3-pyridinyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine
CID 171783818
1-[6-(5,6-Dimethoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-(2-pyridin-3-yloxyethyl)urea
CID 176288758
US10544143, Example 109
CID 138686309
US10544143, Example 202
CID 138687070

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine?
The IUPAC name of 8-bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine (CID 158284371) is 8-bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 8-bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine?
The canonical SMILES for 8-bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine is Brc1cc(-c2ccccc2)nn2ccnc12.COc1ccc(Cc2cc(-c3ccccc3)nn3ccnc23)nc1OC.COc1ccc(N)nc1OC.
What is the InChIKey of 8-bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine?
The InChIKey is GKPDBHSFORWWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2.C12H8BrN3.C7H10N2O2/c1-25-18-9-8-16(22-20(18)26-2)12-15-13-17(14-6-4-3-5-7-14)23-24-11-10-21-19(15)24;13-10-8-11(9-4-2-1-3-5-9)15-16-7-6-14-12(10)16;1-10-5-3-4-6(8)9-7(5)11-2/h3-11,13H,12H2,1-2H3;1-8H;3-4H,1-2H3,(H2,8,9).
What are the key properties of 8-bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine?
8-bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine has a molecular weight of 774.68 g/mol, XLogP of 7.24, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 158284371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).