1-bromo-2,2-dimethoxypropane;4-bromo-2-hydroxybenzaldehyde;7-bromo-3-(2-methylimidazo[1,2-b]pyridazin-6-yl)chromen-2-one;tert-butyl 2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetate;tert-butyl 4-[3-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-2-oxochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-methylimidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]-7-(1,2,3,6-tetrahydropyridin-4-yl)chromen-2-one;hydrochloride

C126H141BBr3Cl3N22O18 — CID 158376456

About 1-bromo-2,2-dimethoxypropane;4-bromo-2-hydroxybenzaldehyde;7-bromo-3-(2-methylimidazo[1,2-b]pyridazin-6-yl)chromen-2-one;tert-butyl 2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetate;tert-butyl 4-[3-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-2-oxochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-methylimidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]-7-(1,2,3,6-tetrahydropyridin-4-yl)chromen-2-one;hydrochloride

1-bromo-2,2-dimethoxypropane;4-bromo-2-hydroxybenzaldehyde;7-bromo-3-(2-methylimidazo[1,2-b]pyridazin-6-yl)chromen-2-one;tert-butyl 2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetate;tert-butyl 4-[3-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-2-oxochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-methylimidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]-7-(1,2,3,6-tetrahydropyridin-4-yl)chromen-2-one;hydrochloride (PubChem CID 158376456) has the molecular formula C126H141BBr3Cl3N22O18 and a molecular weight of 2608.53 g/mol. Its IUPAC name is 1-bromo-2,2-dimethoxypropane;4-bromo-2-hydroxybenzaldehyde;7-bromo-3-(2-methylimidazo[1,2-b]pyridazin-6-yl)chromen-2-one;tert-butyl 2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetate;tert-butyl 4-[3-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-2-oxochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-methylimidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]-7-(1,2,3,6-tetrahydropyridin-4-yl)chromen-2-one;hydrochloride.

Molecular Properties

• Compound Name: 1-bromo-2,2-dimethoxypropane;4-bromo-2-hydroxybenzaldehyde;7-bromo-3-(2-methylimidazo[1,2-b]pyridazin-6-yl)chromen-2-one;tert-butyl 2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetate;tert-butyl 4-[3-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-2-oxochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-methylimidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]-7-(1,2,3,6-tetrahydropyridin-4-yl)chromen-2-one;hydrochloride
• PubChem CID: 158376456
• Molecular Formula: C126H141BBr3Cl3N22O18
• Molecular Weight: 2608.53 g/mol
• Exact Mass: 2602.75
• IUPAC Name: 1-bromo-2,2-dimethoxypropane;4-bromo-2-hydroxybenzaldehyde;7-bromo-3-(2-methylimidazo[1,2-b]pyridazin-6-yl)chromen-2-one;tert-butyl 2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetate;tert-butyl 4-[3-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-2-oxochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-methylimidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]-7-(1,2,3,6-tetrahydropyridin-4-yl)chromen-2-one;hydrochloride
• SMILES: CC1(C)OB(C2=CCCCC2)OC1(C)C.COC(C)(CBr)OC.Cc1cn2nc(-c3cc4ccc(Br)cc4oc3=O)ccc2n1.Cc1cn2nc(CC(=O)OC(C)(C)C)ccc2n1.Cc1cn2nc(Cl)ccc2n1.Cc1nc2ccc(-c3cc4ccc(C5=CCN(C(=O)OC(C)(C)C)CC5)cc4oc3=O)nn2c1C1=CCN(C(=O)OC(C)(C)C)CC1.Cc1nc2ccc(-c3cc4ccc(C5=CCNCC5)cc4oc3=O)nn2c1C1=CCNCC1.Cl.Nc1ccc(Cl)nn1.O=Cc1ccc(Br)cc1O
• InChI: InChI=1S/C36H41N5O6.C26H25N5O2.C16H10BrN3O2.C13H17N3O2.C12H21BO2.C7H5BrO2.C7H6ClN3.C5H11BrO2.C4H4ClN3.ClH/c1-22-31(24-14-18-40(19-15-24)34(44)47-36(5,6)7)41-30(37-22)11-10-28(38-41)27-20-26-9-8-25(21-29(26)45-32(27)42)23-12-16-39(17-13-23)33(43)46-35(2,3)4;1-16-25(18-8-12-28-13-9-18)31-24(29-16)5-4-22(30-31)21-14-20-3-2-19(15-23(20)33-26(21)32)17-6-10-27-11-7-17;1-9-8-20-15(18-9)5-4-13(19-20)12-6-10-2-3-11(17)7-14(10)22-16(12)21;1-9-8-16-11(14-9)6-5-10(15-16)7-12(17)18-13(2,3)4;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;8-6-2-1-5(4-9)7(10)3-6;1-5-4-11-7(9-5)3-2-6(8)10-11;1-5(4-6,7-2)8-3;5-3-1-2-4(6)8-7-3;/h8-12,14,20-21H,13,15-19H2,1-7H3;2-6,8,14-15,27-28H,7,9-13H2,1H3;2-8H,1H3;5-6,8H,7H2,1-4H3;8H,5-7,9H2,1-4H3;1-4,10H;2-4H,1H3;4H2,1-3H3;1-2H,(H2,6,8);1H
• InChIKey: MXYGBFJOQGQBIY-UHFFFAOYSA-N
• XLogP: 25.22
• TPSA: 477.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 14
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2608.53
LogP ≤ 5	25.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,2-dimethoxypropane;4-bromo-2-hydroxybenzaldehyde;7-bromo-3-(2-methylimidazo[1,2-b]pyridazin-6-yl)chromen-2-one;tert-butyl 2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetate;tert-butyl 4-[3-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-2-oxochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-methylimidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]-7-(1,2,3,6-tetrahydropyridin-4-yl)chromen-2-one;hydrochloride?

The IUPAC name of 1-bromo-2,2-dimethoxypropane;4-bromo-2-hydroxybenzaldehyde;7-bromo-3-(2-methylimidazo[1,2-b]pyridazin-6-yl)chromen-2-one;tert-butyl 2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetate;tert-butyl 4-[3-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-2-oxochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-methylimidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]-7-(1,2,3,6-tetrahydropyridin-4-yl)chromen-2-one;hydrochloride (CID 158376456) is 1-bromo-2,2-dimethoxypropane;4-bromo-2-hydroxybenzaldehyde;7-bromo-3-(2-methylimidazo[1,2-b]pyridazin-6-yl)chromen-2-one;tert-butyl 2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetate;tert-butyl 4-[3-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-2-oxochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-methylimidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]-7-(1,2,3,6-tetrahydropyridin-4-yl)chromen-2-one;hydrochloride.

What is the SMILES notation for 1-bromo-2,2-dimethoxypropane;4-bromo-2-hydroxybenzaldehyde;7-bromo-3-(2-methylimidazo[1,2-b]pyridazin-6-yl)chromen-2-one;tert-butyl 2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetate;tert-butyl 4-[3-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-2-oxochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-methylimidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]-7-(1,2,3,6-tetrahydropyridin-4-yl)chromen-2-one;hydrochloride?

The canonical SMILES for 1-bromo-2,2-dimethoxypropane;4-bromo-2-hydroxybenzaldehyde;7-bromo-3-(2-methylimidazo[1,2-b]pyridazin-6-yl)chromen-2-one;tert-butyl 2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetate;tert-butyl 4-[3-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-2-oxochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-methylimidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]-7-(1,2,3,6-tetrahydropyridin-4-yl)chromen-2-one;hydrochloride is CC1(C)OB(C2=CCCCC2)OC1(C)C.COC(C)(CBr)OC.Cc1cn2nc(-c3cc4ccc(Br)cc4oc3=O)ccc2n1.Cc1cn2nc(CC(=O)OC(C)(C)C)ccc2n1.Cc1cn2nc(Cl)ccc2n1.Cc1nc2ccc(-c3cc4ccc(C5=CCN(C(=O)OC(C)(C)C)CC5)cc4oc3=O)nn2c1C1=CCN(C(=O)OC(C)(C)C)CC1.Cc1nc2ccc(-c3cc4ccc(C5=CCNCC5)cc4oc3=O)nn2c1C1=CCNCC1.Cl.Nc1ccc(Cl)nn1.O=Cc1ccc(Br)cc1O.

What is the InChIKey of 1-bromo-2,2-dimethoxypropane;4-bromo-2-hydroxybenzaldehyde;7-bromo-3-(2-methylimidazo[1,2-b]pyridazin-6-yl)chromen-2-one;tert-butyl 2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetate;tert-butyl 4-[3-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-2-oxochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-methylimidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]-7-(1,2,3,6-tetrahydropyridin-4-yl)chromen-2-one;hydrochloride?

The InChIKey is MXYGBFJOQGQBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N5O6.C26H25N5O2.C16H10BrN3O2.C13H17N3O2.C12H21BO2.C7H5BrO2.C7H6ClN3.C5H11BrO2.C4H4ClN3.ClH/c1-22-31(24-14-18-40(19-15-24)34(44)47-36(5,6)7)41-30(37-22)11-10-28(38-41)27-20-26-9-8-25(21-29(26)45-32(27)42)23-12-16-39(17-13-23)33(43)46-35(2,3)4;1-16-25(18-8-12-28-13-9-18)31-24(29-16)5-4-22(30-31)21-14-20-3-2-19(15-23(20)33-26(21)32)17-6-10-27-11-7-17;1-9-8-20-15(18-9)5-4-13(19-20)12-6-10-2-3-11(17)7-14(10)22-16(12)21;1-9-8-16-11(14-9)6-5-10(15-16)7-12(17)18-13(2,3)4;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;8-6-2-1-5(4-9)7(10)3-6;1-5-4-11-7(9-5)3-2-6(8)10-11;1-5(4-6,7-2)8-3;5-3-1-2-4(6)8-7-3;/h8-12,14,20-21H,13,15-19H2,1-7H3;2-6,8,14-15,27-28H,7,9-13H2,1H3;2-8H,1H3;5-6,8H,7H2,1-4H3;8H,5-7,9H2,1-4H3;1-4,10H;2-4H,1H3;4H2,1-3H3;1-2H,(H2,6,8);1H.

What are the key properties of 1-bromo-2,2-dimethoxypropane;4-bromo-2-hydroxybenzaldehyde;7-bromo-3-(2-methylimidazo[1,2-b]pyridazin-6-yl)chromen-2-one;tert-butyl 2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetate;tert-butyl 4-[3-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-2-oxochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-methylimidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]-7-(1,2,3,6-tetrahydropyridin-4-yl)chromen-2-one;hydrochloride?

1-bromo-2,2-dimethoxypropane;4-bromo-2-hydroxybenzaldehyde;7-bromo-3-(2-methylimidazo[1,2-b]pyridazin-6-yl)chromen-2-one;tert-butyl 2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetate;tert-butyl 4-[3-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-2-oxochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-methylimidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]-7-(1,2,3,6-tetrahydropyridin-4-yl)chromen-2-one;hydrochloride has a molecular weight of 2608.53 g/mol, XLogP of 25.22, 14 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2,2-dimethoxypropane;4-bromo-2-hydroxybenzaldehyde;7-bromo-3-(2-methylimidazo[1,2-b]pyridazin-6-yl)chromen-2-one;tert-butyl 2-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetate;tert-butyl 4-[3-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-2-oxochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-methylimidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-[2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]-7-(1,2,3,6-tetrahydropyridin-4-yl)chromen-2-one;hydrochloride is sourced from PubChem (CID 158376456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).