6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]-5,5-difluoro-2-azaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C42H43ClF2N10O3 — CID 176558499

About 6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]-5,5-difluoro-2-azaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]-5,5-difluoro-2-azaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 176558499) has the molecular formula C42H43ClF2N10O3 and a molecular weight of 809.32 g/mol. Its IUPAC name is 6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]-5,5-difluoro-2-azaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]-5,5-difluoro-2-azaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 176558499
• Molecular Formula: C42H43ClF2N10O3
• Molecular Weight: 809.32 g/mol
• Exact Mass: 808.32
• IUPAC Name: 6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]-5,5-difluoro-2-azaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNc1cc(N2CCc3c(-c4ccc(CN5CC6(CCC(N(C)c7ccc(Cl)c(C8CCC(=O)NC8=O)c7)CC6(F)F)C5)cn4)cccc32)nn2c(C(N)=O)cnc12
• InChI: InChI=1S/C42H43ClF2N10O3/c1-47-33-17-36(51-55-35(38(46)57)20-49-39(33)55)54-15-13-28-27(4-3-5-34(28)54)32-10-6-24(19-48-32)21-53-22-41(23-53)14-12-26(18-42(41,44)45)52(2)25-7-9-31(43)30(16-25)29-8-11-37(56)50-40(29)58/h3-7,9-10,16-17,19-20,26,29,47H,8,11-15,18,21-23H2,1-2H3,(H2,46,57)(H,50,56,58)
• InChIKey: YQVCPIODYLOTQK-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 154.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	809.32
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	3
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-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]-5,5-difluoro-2-azaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]-5,5-difluoro-2-azaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 176558499) is 6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]-5,5-difluoro-2-azaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]-5,5-difluoro-2-azaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]-5,5-difluoro-2-azaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(N2CCc3c(-c4ccc(CN5CC6(CCC(N(C)c7ccc(Cl)c(C8CCC(=O)NC8=O)c7)CC6(F)F)C5)cn4)cccc32)nn2c(C(N)=O)cnc12.

What is the InChIKey of 6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]-5,5-difluoro-2-azaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is YQVCPIODYLOTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43ClF2N10O3/c1-47-33-17-36(51-55-35(38(46)57)20-49-39(33)55)54-15-13-28-27(4-3-5-34(28)54)32-10-6-24(19-48-32)21-53-22-41(23-53)14-12-26(18-42(41,44)45)52(2)25-7-9-31(43)30(16-25)29-8-11-37(56)50-40(29)58/h3-7,9-10,16-17,19-20,26,29,47H,8,11-15,18,21-23H2,1-2H3,(H2,46,57)(H,50,56,58).

What are the key properties of 6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]-5,5-difluoro-2-azaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]-5,5-difluoro-2-azaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 809.32 g/mol, XLogP of 5.93, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]-5,5-difluoro-2-azaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 176558499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).