2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]methyl]isoindole-1,3-dione

C42H41FN10O4 — CID 146410438

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN4CC(N5CCN(c6cccc(-c7cnc8ccc(N9CCC[C@@H]9c9cccc(F)c9)nn78)n6)CC5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C42H41FN10O4/c43-28-5-1-4-27(21-28)33-7-3-15-51(33)38-13-12-36-44-22-35(53(36)47-38)32-6-2-8-37(45-32)50-18-16-49(17-19-50)29-24-48(25-29)23-26-9-10-30-31(20-26)42(57)52(41(30)56)34-11-14-39(54)46-40(34)55/h1-2,4-6,8-10,12-13,20-22,29,33-34H,3,7,11,14-19,23-25H2,(H,46,54,55)/t33-,34?/m1/s1
InChIKeyNRUBYTYBWZTFAP-BONSOQDYSA-N
MW768.85 g/mol
LogP3.68
Rot. Bonds8

About 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]methyl]isoindole-1,3-dione (PubChem CID 146410438) has the molecular formula C42H41FN10O4 and a molecular weight of 768.85 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]methyl]isoindole-1,3-dione
PubChem CID146410438
Molecular FormulaC42H41FN10O4
Molecular Weight768.85 g/mol
Exact Mass768.33
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN4CC(N5CCN(c6cccc(-c7cnc8ccc(N9CCC[C@@H]9c9cccc(F)c9)nn78)n6)CC5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C42H41FN10O4/c43-28-5-1-4-27(21-28)33-7-3-15-51(33)38-13-12-36-44-22-35(53(36)47-38)32-6-2-8-37(45-32)50-18-16-49(17-19-50)29-24-48(25-29)23-26-9-10-30-31(20-26)42(57)52(41(30)56)34-11-14-39(54)46-40(34)55/h1-2,4-6,8-10,12-13,20-22,29,33-34H,3,7,11,14-19,23-25H2,(H,46,54,55)/t33-,34?/m1/s1
InChIKeyNRUBYTYBWZTFAP-BONSOQDYSA-N
XLogP3.68
TPSA139.59 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.85
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]methyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]methyl]isoindole-1,3-dione (CID 146410438) is 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]methyl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(CN4CC(N5CCN(c6cccc(-c7cnc8ccc(N9CCC[C@@H]9c9cccc(F)c9)nn78)n6)CC5)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]methyl]isoindole-1,3-dione?
The InChIKey is NRUBYTYBWZTFAP-BONSOQDYSA-N. The full InChI is InChI=1S/C42H41FN10O4/c43-28-5-1-4-27(21-28)33-7-3-15-51(33)38-13-12-36-44-22-35(53(36)47-38)32-6-2-8-37(45-32)50-18-16-49(17-19-50)29-24-48(25-29)23-26-9-10-30-31(20-26)42(57)52(41(30)56)34-11-14-39(54)46-40(34)55/h1-2,4-6,8-10,12-13,20-22,29,33-34H,3,7,11,14-19,23-25H2,(H,46,54,55)/t33-,34?/m1/s1.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]methyl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]methyl]isoindole-1,3-dione has a molecular weight of 768.85 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 146410438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).