6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)benzoyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C44H44ClFN10O4 — CID 176558848

About 6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)benzoyl]-2,7-diazaspiro[3.5]nonan-2-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-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)benzoyl]-2,7-diazaspiro[3.5]nonan-2-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 176558848) has the molecular formula C44H44ClFN10O4 and a molecular weight of 831.35 g/mol. Its IUPAC name is 6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)benzoyl]-2,7-diazaspiro[3.5]nonan-2-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-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)benzoyl]-2,7-diazaspiro[3.5]nonan-2-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: 176558848
• Molecular Formula: C44H44ClFN10O4
• Molecular Weight: 831.35 g/mol
• Exact Mass: 830.32
• IUPAC Name: 6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)benzoyl]-2,7-diazaspiro[3.5]nonan-2-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(CN5CC6(CCN(C(=O)c7ccc(Cl)c(C8CCC(=O)NC8=O)c7)CC6)C5)cn4)cccc32)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12
• InChI: InChI=1S/C44H44ClFN10O4/c1-47-35-19-38(52-56-37(21-49-40(35)56)42(59)50-34-18-32(34)46)55-14-11-28-27(3-2-4-36(28)55)33-9-5-25(20-48-33)22-53-23-44(24-53)12-15-54(16-13-44)43(60)26-6-8-31(45)30(17-26)29-7-10-39(57)51-41(29)58/h2-6,8-9,17,19-21,29,32,34,47H,7,10-16,18,22-24H2,1H3,(H,50,59)(H,51,57,58)/t29?,32-,34+/m0/s1
• InChIKey: YRKPTIHGPMZVHV-FKCYBIBXSA-N
• XLogP: 5.28
• TPSA: 157.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	831.35
LogP ≤ 5	5.28
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)benzoyl]-2,7-diazaspiro[3.5]nonan-2-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-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)benzoyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 176558848) is 6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)benzoyl]-2,7-diazaspiro[3.5]nonan-2-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-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)benzoyl]-2,7-diazaspiro[3.5]nonan-2-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-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)benzoyl]-2,7-diazaspiro[3.5]nonan-2-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(CN5CC6(CCN(C(=O)c7ccc(Cl)c(C8CCC(=O)NC8=O)c7)CC6)C5)cn4)cccc32)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12.

What is the InChIKey of 6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)benzoyl]-2,7-diazaspiro[3.5]nonan-2-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 YRKPTIHGPMZVHV-FKCYBIBXSA-N. The full InChI is InChI=1S/C44H44ClFN10O4/c1-47-35-19-38(52-56-37(21-49-40(35)56)42(59)50-34-18-32(34)46)55-14-11-28-27(3-2-4-36(28)55)33-9-5-25(20-48-33)22-53-23-44(24-53)12-15-54(16-13-44)43(60)26-6-8-31(45)30(17-26)29-7-10-39(57)51-41(29)58/h2-6,8-9,17,19-21,29,32,34,47H,7,10-16,18,22-24H2,1H3,(H,50,59)(H,51,57,58)/t29?,32-,34+/m0/s1.

What are the key properties of 6-[4-[5-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)benzoyl]-2,7-diazaspiro[3.5]nonan-2-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-[[7-[4-chloro-3-(2,6-dioxopiperidin-3-yl)benzoyl]-2,7-diazaspiro[3.5]nonan-2-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 831.35 g/mol, XLogP of 5.28, 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)benzoyl]-2,7-diazaspiro[3.5]nonan-2-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 176558848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).