N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide

C42H47N11O5 — CID 177209087

About N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide

N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide (PubChem CID 177209087) has the molecular formula C42H47N11O5 and a molecular weight of 785.91 g/mol. Its IUPAC name is N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide
• PubChem CID: 177209087
• Molecular Formula: C42H47N11O5
• Molecular Weight: 785.91 g/mol
• Exact Mass: 785.38
• IUPAC Name: N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide
• SMILES: O=C1CCC(N2Cc3ccc(N4CCC(CN5CCC(n6cc7cc(NC(=O)c8ccc9nccn9n8)c(N8CC[C@H](O)C8)cc7n6)CC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C42H47N11O5/c54-31-11-17-50(25-31)37-21-34-28(19-35(37)44-40(56)33-3-5-38-43-12-18-52(38)46-33)24-53(47-34)29-9-13-48(14-10-29)22-26-7-15-49(16-8-26)30-2-1-27-23-51(42(58)32(27)20-30)36-4-6-39(55)45-41(36)57/h1-3,5,12,18-21,24,26,29,31,36,54H,4,6-11,13-17,22-23,25H2,(H,44,56)(H,45,55,57)/t31-,36?/m0/s1
• InChIKey: SCXSDQISEBUMOT-BRKUKBBPSA-N
• XLogP: 3.22
• TPSA: 173.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.91
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide?

The IUPAC name of N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide (CID 177209087) is N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide.

What is the SMILES notation for N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide?

The canonical SMILES for N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide is O=C1CCC(N2Cc3ccc(N4CCC(CN5CCC(n6cc7cc(NC(=O)c8ccc9nccn9n8)c(N8CC[C@H](O)C8)cc7n6)CC5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide?

The InChIKey is SCXSDQISEBUMOT-BRKUKBBPSA-N. The full InChI is InChI=1S/C42H47N11O5/c54-31-11-17-50(25-31)37-21-34-28(19-35(37)44-40(56)33-3-5-38-43-12-18-52(38)46-33)24-53(47-34)29-9-13-48(14-10-29)22-26-7-15-49(16-8-26)30-2-1-27-23-51(42(58)32(27)20-30)36-4-6-39(55)45-41(36)57/h1-3,5,12,18-21,24,26,29,31,36,54H,4,6-11,13-17,22-23,25H2,(H,44,56)(H,45,55,57)/t31-,36?/m0/s1.

What are the key properties of N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide?

N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide has a molecular weight of 785.91 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide is sourced from PubChem (CID 177209087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).