2-methylprop-2-enoyl chloride;8-[1-(2-methylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide

C56H63ClN10O6 — CID 167666885

About 2-methylprop-2-enoyl chloride;8-[1-(2-methylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide

2-methylprop-2-enoyl chloride;8-[1-(2-methylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 167666885) has the molecular formula C56H63ClN10O6 and a molecular weight of 1007.64 g/mol. Its IUPAC name is 2-methylprop-2-enoyl chloride;8-[1-(2-methylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 2-methylprop-2-enoyl chloride;8-[1-(2-methylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 167666885
• Molecular Formula: C56H63ClN10O6
• Molecular Weight: 1007.64 g/mol
• Exact Mass: 1006.46
• IUPAC Name: 2-methylprop-2-enoyl chloride;8-[1-(2-methylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: C=C(C)C(=O)Cl.C=C(C)C(=O)N1CCC(C2CCNn3c2nc(-c2ccc(Oc4ccccc4)cc2)c3C(N)=O)CC1.NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nc2n1NCCC2C1CCNCC1
• InChI: InChI=1S/C28H31N5O3.C24H27N5O2.C4H5ClO/c1-18(2)28(35)32-16-13-19(14-17-32)23-12-15-30-33-25(26(29)34)24(31-27(23)33)20-8-10-22(11-9-20)36-21-6-4-3-5-7-21;25-23(30)22-21(17-6-8-19(9-7-17)31-18-4-2-1-3-5-18)28-24-20(12-15-27-29(22)24)16-10-13-26-14-11-16;1-3(2)4(5)6/h3-11,19,23,30H,1,12-17H2,2H3,(H2,29,34);1-9,16,20,26-27H,10-15H2,(H2,25,30);1H2,2H3
• InChIKey: STSNUMGGXVEWME-UHFFFAOYSA-N
• XLogP: 9.09
• TPSA: 213.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1007.64
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl chloride;8-[1-(2-methylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 2-methylprop-2-enoyl chloride;8-[1-(2-methylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide (CID 167666885) is 2-methylprop-2-enoyl chloride;8-[1-(2-methylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 2-methylprop-2-enoyl chloride;8-[1-(2-methylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 2-methylprop-2-enoyl chloride;8-[1-(2-methylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide is C=C(C)C(=O)Cl.C=C(C)C(=O)N1CCC(C2CCNn3c2nc(-c2ccc(Oc4ccccc4)cc2)c3C(N)=O)CC1.NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nc2n1NCCC2C1CCNCC1.

What is the InChIKey of 2-methylprop-2-enoyl chloride;8-[1-(2-methylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is STSNUMGGXVEWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3.C24H27N5O2.C4H5ClO/c1-18(2)28(35)32-16-13-19(14-17-32)23-12-15-30-33-25(26(29)34)24(31-27(23)33)20-8-10-22(11-9-20)36-21-6-4-3-5-7-21;25-23(30)22-21(17-6-8-19(9-7-17)31-18-4-2-1-3-5-18)28-24-20(12-15-27-29(22)24)16-10-13-26-14-11-16;1-3(2)4(5)6/h3-11,19,23,30H,1,12-17H2,2H3,(H2,29,34);1-9,16,20,26-27H,10-15H2,(H2,25,30);1H2,2H3.

What are the key properties of 2-methylprop-2-enoyl chloride;8-[1-(2-methylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide?

2-methylprop-2-enoyl chloride;8-[1-(2-methylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 1007.64 g/mol, XLogP of 9.09, 12 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylprop-2-enoyl chloride;8-[1-(2-methylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 167666885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).