2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide

C39H35FN10O5 — CID 146410372

IUPAC2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide
SMILESO=C1CCC(N2C(=O)c3ccc(NCC(=O)NC4CN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C39H35FN10O5/c40-23-5-1-4-22(16-23)29-7-3-15-48(29)34-13-12-32-42-18-31(50(32)46-34)28-6-2-8-33(44-28)47-20-25(21-47)43-36(52)19-41-24-9-10-26-27(17-24)39(55)49(38(26)54)30-11-14-35(51)45-37(30)53/h1-2,4-6,8-10,12-13,16-18,25,29-30,41H,3,7,11,14-15,19-21H2,(H,43,52)(H,45,51,53)/t29-,30?/m1/s1
InChIKeyYOMIUADADCBUHV-IDCGIGBZSA-N
MW742.77 g/mol
LogP3.09
Rot. Bonds9

About 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide

2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide (PubChem CID 146410372) has the molecular formula C39H35FN10O5 and a molecular weight of 742.77 g/mol. Its IUPAC name is 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide
PubChem CID146410372
Molecular FormulaC39H35FN10O5
Molecular Weight742.77 g/mol
Exact Mass742.28
IUPAC Name2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide
SMILESO=C1CCC(N2C(=O)c3ccc(NCC(=O)NC4CN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C39H35FN10O5/c40-23-5-1-4-22(16-23)29-7-3-15-48(29)34-13-12-32-42-18-31(50(32)46-34)28-6-2-8-33(44-28)47-20-25(21-47)43-36(52)19-41-24-9-10-26-27(17-24)39(55)49(38(26)54)30-11-14-35(51)45-37(30)53/h1-2,4-6,8-10,12-13,16-18,25,29-30,41H,3,7,11,14-15,19-21H2,(H,43,52)(H,45,51,53)/t29-,30?/m1/s1
InChIKeyYOMIUADADCBUHV-IDCGIGBZSA-N
XLogP3.09
TPSA174.24 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.77
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide?
The IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide (CID 146410372) is 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide.
What is the SMILES notation for 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide?
The canonical SMILES for 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide is O=C1CCC(N2C(=O)c3ccc(NCC(=O)NC4CN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide?
The InChIKey is YOMIUADADCBUHV-IDCGIGBZSA-N. The full InChI is InChI=1S/C39H35FN10O5/c40-23-5-1-4-22(16-23)29-7-3-15-48(29)34-13-12-32-42-18-31(50(32)46-34)28-6-2-8-33(44-28)47-20-25(21-47)43-36(52)19-41-24-9-10-26-27(17-24)39(55)49(38(26)54)30-11-14-35(51)45-37(30)53/h1-2,4-6,8-10,12-13,16-18,25,29-30,41H,3,7,11,14-15,19-21H2,(H,43,52)(H,45,51,53)/t29-,30?/m1/s1.
What are the key properties of 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide?
2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide has a molecular weight of 742.77 g/mol, XLogP of 3.09, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 146410372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).