6-[4-[5-[[9-[4-chloro-3-(2,6-dioxopiperidin-3-yl)anilino]-3-azaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane

C47H55ClN10O3 — CID 176559845

About 6-[4-[5-[[9-[4-chloro-3-(2,6-dioxopiperidin-3-yl)anilino]-3-azaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane

6-[4-[5-[[9-[4-chloro-3-(2,6-dioxopiperidin-3-yl)anilino]-3-azaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane (PubChem CID 176559845) has the molecular formula C47H55ClN10O3 and a molecular weight of 843.48 g/mol. Its IUPAC name is 6-[4-[5-[[9-[4-chloro-3-(2,6-dioxopiperidin-3-yl)anilino]-3-azaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane.

Molecular Properties

• Compound Name: 6-[4-[5-[[9-[4-chloro-3-(2,6-dioxopiperidin-3-yl)anilino]-3-azaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane
• PubChem CID: 176559845
• Molecular Formula: C47H55ClN10O3
• Molecular Weight: 843.48 g/mol
• Exact Mass: 842.41
• IUPAC Name: 6-[4-[5-[[9-[4-chloro-3-(2,6-dioxopiperidin-3-yl)anilino]-3-azaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane
• SMILES: C1CC1.CNC(=O)c1cnc2c(NC)cc(N3CCc4c(-c5ccc(CN6CCC7(CCC(Nc8ccc(Cl)c(C9CCC(=O)NC9=O)c8)CC7)CC6)cn5)cccc43)nn12
• InChI: InChI=1S/C44H49ClN10O3.C3H6/c1-46-36-23-39(52-55-38(43(58)47-2)25-49-41(36)55)54-19-14-31-30(4-3-5-37(31)54)35-10-6-27(24-48-35)26-53-20-17-44(18-21-53)15-12-28(13-16-44)50-29-7-9-34(45)33(22-29)32-8-11-40(56)51-42(32)57;1-2-3-1/h3-7,9-10,22-25,28,32,46,50H,8,11-21,26H2,1-2H3,(H,47,58)(H,51,56,57);1-3H2
• InChIKey: XFJXPJUAPHLEFY-UHFFFAOYSA-N
• XLogP: 7.87
• TPSA: 148.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	843.48
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-[[9-[4-chloro-3-(2,6-dioxopiperidin-3-yl)anilino]-3-azaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane?

The IUPAC name of 6-[4-[5-[[9-[4-chloro-3-(2,6-dioxopiperidin-3-yl)anilino]-3-azaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane (CID 176559845) is 6-[4-[5-[[9-[4-chloro-3-(2,6-dioxopiperidin-3-yl)anilino]-3-azaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane.

What is the SMILES notation for 6-[4-[5-[[9-[4-chloro-3-(2,6-dioxopiperidin-3-yl)anilino]-3-azaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane?

The canonical SMILES for 6-[4-[5-[[9-[4-chloro-3-(2,6-dioxopiperidin-3-yl)anilino]-3-azaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane is C1CC1.CNC(=O)c1cnc2c(NC)cc(N3CCc4c(-c5ccc(CN6CCC7(CCC(Nc8ccc(Cl)c(C9CCC(=O)NC9=O)c8)CC7)CC6)cn5)cccc43)nn12.

What is the InChIKey of 6-[4-[5-[[9-[4-chloro-3-(2,6-dioxopiperidin-3-yl)anilino]-3-azaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane?

The InChIKey is XFJXPJUAPHLEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H49ClN10O3.C3H6/c1-46-36-23-39(52-55-38(43(58)47-2)25-49-41(36)55)54-19-14-31-30(4-3-5-37(31)54)35-10-6-27(24-48-35)26-53-20-17-44(18-21-53)15-12-28(13-16-44)50-29-7-9-34(45)33(22-29)32-8-11-40(56)51-42(32)57;1-2-3-1/h3-7,9-10,22-25,28,32,46,50H,8,11-21,26H2,1-2H3,(H,47,58)(H,51,56,57);1-3H2.

What are the key properties of 6-[4-[5-[[9-[4-chloro-3-(2,6-dioxopiperidin-3-yl)anilino]-3-azaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane?

6-[4-[5-[[9-[4-chloro-3-(2,6-dioxopiperidin-3-yl)anilino]-3-azaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane has a molecular weight of 843.48 g/mol, XLogP of 7.87, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[5-[[9-[4-chloro-3-(2,6-dioxopiperidin-3-yl)anilino]-3-azaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane is sourced from PubChem (CID 176559845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).