6-[4-[5-[[4-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methoxy]piperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C42H43ClFN9O4 — CID 176558924

About 6-[4-[5-[[4-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methoxy]piperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

6-[4-[5-[[4-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methoxy]piperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 176558924) has the molecular formula C42H43ClFN9O4 and a molecular weight of 792.32 g/mol. Its IUPAC name is 6-[4-[5-[[4-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methoxy]piperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[5-[[4-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methoxy]piperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 176558924
• Molecular Formula: C42H43ClFN9O4
• Molecular Weight: 792.32 g/mol
• Exact Mass: 791.31
• IUPAC Name: 6-[4-[5-[[4-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methoxy]piperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNc1cc(N2CCc3c(-c4ccc(CN5CCC(OCc6ccc(Cl)c(C7CCC(=O)NC7=O)c6)CC5)cn4)cccc32)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12
• InChI: InChI=1S/C42H43ClFN9O4/c1-45-35-19-38(50-53-37(21-47-40(35)53)42(56)48-34-18-32(34)44)52-16-13-28-27(3-2-4-36(28)52)33-9-6-25(20-46-33)22-51-14-11-26(12-15-51)57-23-24-5-8-31(43)30(17-24)29-7-10-39(54)49-41(29)55/h2-6,8-9,17,19-21,26,29,32,34,45H,7,10-16,18,22-23H2,1H3,(H,48,56)(H,49,54,55)/t29?,32-,34+/m0/s1
• InChIKey: XYBZSZDHYQCFTO-FKCYBIBXSA-N
• XLogP: 5.72
• TPSA: 146.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	792.32
LogP ≤ 5	5.72
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-[[4-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methoxy]piperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 6-[4-[5-[[4-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methoxy]piperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 176558924) is 6-[4-[5-[[4-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methoxy]piperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[4-[5-[[4-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methoxy]piperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 6-[4-[5-[[4-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methoxy]piperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(N2CCc3c(-c4ccc(CN5CCC(OCc6ccc(Cl)c(C7CCC(=O)NC7=O)c6)CC5)cn4)cccc32)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12.

What is the InChIKey of 6-[4-[5-[[4-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methoxy]piperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is XYBZSZDHYQCFTO-FKCYBIBXSA-N. The full InChI is InChI=1S/C42H43ClFN9O4/c1-45-35-19-38(50-53-37(21-47-40(35)53)42(56)48-34-18-32(34)44)52-16-13-28-27(3-2-4-36(28)52)33-9-6-25(20-46-33)22-51-14-11-26(12-15-51)57-23-24-5-8-31(43)30(17-24)29-7-10-39(54)49-41(29)55/h2-6,8-9,17,19-21,26,29,32,34,45H,7,10-16,18,22-23H2,1H3,(H,48,56)(H,49,54,55)/t29?,32-,34+/m0/s1.

What are the key properties of 6-[4-[5-[[4-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methoxy]piperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

6-[4-[5-[[4-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methoxy]piperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 792.32 g/mol, XLogP of 5.72, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[5-[[4-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methoxy]piperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 176558924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).