6-[4-[4-[4-[2-[1-[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C44H50ClN11O3 — CID 176559203

About 6-[4-[4-[4-[2-[1-[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

6-[4-[4-[4-[2-[1-[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 176559203) has the molecular formula C44H50ClN11O3 and a molecular weight of 816.41 g/mol. Its IUPAC name is 6-[4-[4-[4-[2-[1-[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[4-[4-[2-[1-[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 176559203
• Molecular Formula: C44H50ClN11O3
• Molecular Weight: 816.41 g/mol
• Exact Mass: 815.38
• IUPAC Name: 6-[4-[4-[4-[2-[1-[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNC(=O)c1cnc2c(NC)cc(N3CCc4c(-c5cc(N6CCN(CCC7CCN(c8ccc(C9CCC(=O)NC9=O)c(Cl)c8)CC7)CC6)ccn5)cccc43)nn12
• InChI: InChI=1S/C44H50ClN11O3/c1-46-37-26-40(51-56-39(44(59)47-2)27-49-42(37)56)55-19-14-33-32(4-3-5-38(33)55)36-25-30(10-15-48-36)54-22-20-52(21-23-54)16-11-28-12-17-53(18-13-28)29-6-7-31(35(45)24-29)34-8-9-41(57)50-43(34)58/h3-7,10,15,24-28,34,46H,8-9,11-14,16-23H2,1-2H3,(H,47,59)(H,50,57,58)
• InChIKey: IVWKTXNGITZRNL-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 143.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	816.41
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[4-[2-[1-[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 6-[4-[4-[4-[2-[1-[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 176559203) is 6-[4-[4-[4-[2-[1-[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[4-[4-[4-[2-[1-[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 6-[4-[4-[4-[2-[1-[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNC(=O)c1cnc2c(NC)cc(N3CCc4c(-c5cc(N6CCN(CCC7CCN(c8ccc(C9CCC(=O)NC9=O)c(Cl)c8)CC7)CC6)ccn5)cccc43)nn12.

What is the InChIKey of 6-[4-[4-[4-[2-[1-[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is IVWKTXNGITZRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50ClN11O3/c1-46-37-26-40(51-56-39(44(59)47-2)27-49-42(37)56)55-19-14-33-32(4-3-5-38(33)55)36-25-30(10-15-48-36)54-22-20-52(21-23-54)16-11-28-12-17-53(18-13-28)29-6-7-31(35(45)24-29)34-8-9-41(57)50-43(34)58/h3-7,10,15,24-28,34,46H,8-9,11-14,16-23H2,1-2H3,(H,47,59)(H,50,57,58).

What are the key properties of 6-[4-[4-[4-[2-[1-[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

6-[4-[4-[4-[2-[1-[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 816.41 g/mol, XLogP of 5.49, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4-[4-[2-[1-[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 176559203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).