(E)-but-2-enoyl chloride;8-[1-[(E)-but-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 167619044

About (E)-but-2-enoyl chloride;8-[1-[(E)-but-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

(E)-but-2-enoyl chloride;8-[1-[(E)-but-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 167619044) has the molecular formula C56H63ClN10O6 and a molecular weight of 1007.64 g/mol. Its IUPAC name is (E)-but-2-enoyl chloride;8-[1-[(E)-but-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: (E)-but-2-enoyl chloride;8-[1-[(E)-but-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: 167619044
• Molecular Formula: C56H63ClN10O6
• Molecular Weight: 1007.64 g/mol
• Exact Mass: 1006.46
• IUPAC Name: (E)-but-2-enoyl chloride;8-[1-[(E)-but-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/c1-2-6-24(34)32-17-14-19(15-18-32)23-13-16-30-33-26(27(29)35)25(31-28(23)33)20-9-11-22(12-10-20)36-21-7-4-3-5-8-21;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;1-2-3-4(5)6/h2-12,19,23,30H,13-18H2,1H3,(H2,29,35);1-9,16,20,26-27H,10-15H2,(H2,25,30);2-3H,1H3/b6-2+;;3-2+
• InChIKey: MECWIQPJWPANCF-VIFZZZBFSA-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 (E)-but-2-enoyl chloride;8-[1-[(E)-but-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 (E)-but-2-enoyl chloride;8-[1-[(E)-but-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 167619044) is (E)-but-2-enoyl chloride;8-[1-[(E)-but-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 (E)-but-2-enoyl chloride;8-[1-[(E)-but-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 (E)-but-2-enoyl chloride;8-[1-[(E)-but-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 (E)-but-2-enoyl chloride;8-[1-[(E)-but-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 MECWIQPJWPANCF-VIFZZZBFSA-N. The full InChI is InChI=1S/C28H31N5O3.C24H27N5O2.C4H5ClO/c1-2-6-24(34)32-17-14-19(15-18-32)23-13-16-30-33-26(27(29)35)25(31-28(23)33)20-9-11-22(12-10-20)36-21-7-4-3-5-8-21;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;1-2-3-4(5)6/h2-12,19,23,30H,13-18H2,1H3,(H2,29,35);1-9,16,20,26-27H,10-15H2,(H2,25,30);2-3H,1H3/b6-2+;;3-2+.

What are the key properties of (E)-but-2-enoyl chloride;8-[1-[(E)-but-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?

(E)-but-2-enoyl chloride;8-[1-[(E)-but-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 (E)-but-2-enoyl chloride;8-[1-[(E)-but-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 167619044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).