bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide

C102H95Br3F12N24O9 — CID 159960290

About bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide

bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide (PubChem CID 159960290) has the molecular formula C102H95Br3F12N24O9 and a molecular weight of 2268.73 g/mol. Its IUPAC name is bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide
• PubChem CID: 159960290
• Molecular Formula: C102H95Br3F12N24O9
• Molecular Weight: 2268.73 g/mol
• Exact Mass: 2264.51
• IUPAC Name: bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide
• SMILES: CCCc1ccc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c4nccn4n3)c2)cc1C(F)(F)F.Cc1ncc(N)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ncc(NC(=O)c2ccc(CBr)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ncc(NC(=O)c2ccc(CBr)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.O=C(O)c1ccc(CBr)c(C(F)(F)F)c1
• InChI: InChI=1S/C27H27F3N6O2.2C25H22BrF3N6O2.C16H18N6O.C9H6BrF3O2/c1-3-4-18-5-6-19(13-22(18)27(28,29)30)26(37)33-20-14-21(17(2)32-16-20)23-15-24(35-9-11-38-12-10-35)25-31-7-8-36(25)34-23;2*1-15-19(21-12-22(34-6-8-37-9-7-34)23-30-4-5-35(23)33-21)11-18(14-31-15)32-24(36)16-2-3-17(13-26)20(10-16)25(27,28)29;1-11-13(8-12(17)10-19-11)14-9-15(21-4-6-23-7-5-21)16-18-2-3-22(16)20-14;10-4-6-2-1-5(8(14)15)3-7(6)9(11,12)13/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,33,37);2*2-5,10-12,14H,6-9,13H2,1H3,(H,32,36);2-3,8-10H,4-7,17H2,1H3;1-3H,4H2,(H,14,15)
• InChIKey: ODFVXEWPZLNVLK-UHFFFAOYSA-N
• XLogP: 20.18
• TPSA: 372.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2268.73
LogP ≤ 5	20.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide?

The IUPAC name of bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide (CID 159960290) is bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide.

What is the SMILES notation for bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide?

The canonical SMILES for bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide is CCCc1ccc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c4nccn4n3)c2)cc1C(F)(F)F.Cc1ncc(N)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ncc(NC(=O)c2ccc(CBr)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ncc(NC(=O)c2ccc(CBr)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.O=C(O)c1ccc(CBr)c(C(F)(F)F)c1.

What is the InChIKey of bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide?

The InChIKey is ODFVXEWPZLNVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N6O2.2C25H22BrF3N6O2.C16H18N6O.C9H6BrF3O2/c1-3-4-18-5-6-19(13-22(18)27(28,29)30)26(37)33-20-14-21(17(2)32-16-20)23-15-24(35-9-11-38-12-10-35)25-31-7-8-36(25)34-23;2*1-15-19(21-12-22(34-6-8-37-9-7-34)23-30-4-5-35(23)33-21)11-18(14-31-15)32-24(36)16-2-3-17(13-26)20(10-16)25(27,28)29;1-11-13(8-12(17)10-19-11)14-9-15(21-4-6-23-7-5-21)16-18-2-3-22(16)20-14;10-4-6-2-1-5(8(14)15)3-7(6)9(11,12)13/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,33,37);2*2-5,10-12,14H,6-9,13H2,1H3,(H,32,36);2-3,8-10H,4-7,17H2,1H3;1-3H,4H2,(H,14,15).

What are the key properties of bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide?

bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide has a molecular weight of 2268.73 g/mol, XLogP of 20.18, 20 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159960290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).