6-[4-[5-[[9-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C46H50ClFN10O3 — CID 176559292

About 6-[4-[5-[[9-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

6-[4-[5-[[9-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 176559292) has the molecular formula C46H50ClFN10O3 and a molecular weight of 845.42 g/mol. Its IUPAC name is 6-[4-[5-[[9-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[5-[[9-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 176559292
• Molecular Formula: C46H50ClFN10O3
• Molecular Weight: 845.42 g/mol
• Exact Mass: 844.37
• IUPAC Name: 6-[4-[5-[[9-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNc1cc(N2CCc3c(-c4ccc(CN5CCC6(CC5)CCN(Cc5ccc(Cl)c(C7CCC(=O)NC7=O)c5)CC6)cn4)cccc32)nn2c(C(=O)NC3C[C@@H]3F)cnc12
• InChI: InChI=1S/C46H50ClFN10O3/c1-49-38-23-41(54-58-40(25-51-43(38)58)45(61)52-37-22-35(37)48)57-16-11-31-30(3-2-4-39(31)57)36-9-6-29(24-50-36)27-56-19-14-46(15-20-56)12-17-55(18-13-46)26-28-5-8-34(47)33(21-28)32-7-10-42(59)53-44(32)60/h2-6,8-9,21,23-25,32,35,37,49H,7,10-20,22,26-27H2,1H3,(H,52,61)(H,53,59,60)/t32?,35-,37?/m0/s1
• InChIKey: CARMQZOTPMUJNL-CZIGKFEHSA-N
• XLogP: 6.42
• TPSA: 140.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	845.42
LogP ≤ 5	6.42
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-[[9-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 6-[4-[5-[[9-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 176559292) is 6-[4-[5-[[9-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

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

The canonical SMILES for 6-[4-[5-[[9-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(N2CCc3c(-c4ccc(CN5CCC6(CC5)CCN(Cc5ccc(Cl)c(C7CCC(=O)NC7=O)c5)CC6)cn4)cccc32)nn2c(C(=O)NC3C[C@@H]3F)cnc12.

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

The InChIKey is CARMQZOTPMUJNL-CZIGKFEHSA-N. The full InChI is InChI=1S/C46H50ClFN10O3/c1-49-38-23-41(54-58-40(25-51-43(38)58)45(61)52-37-22-35(37)48)57-16-11-31-30(3-2-4-39(31)57)36-9-6-29(24-50-36)27-56-19-14-46(15-20-56)12-17-55(18-13-46)26-28-5-8-34(47)33(21-28)32-7-10-42(59)53-44(32)60/h2-6,8-9,21,23-25,32,35,37,49H,7,10-20,22,26-27H2,1H3,(H,52,61)(H,53,59,60)/t32?,35-,37?/m0/s1.

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

6-[4-[5-[[9-[[4-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 845.42 g/mol, XLogP of 6.42, 10 rotatable bonds, 3 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)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 176559292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).