2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-4-[4-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

C41H48FN7O9 — CID 156867020

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-4-[4-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
SMILESCC(C)Oc1cc2c(-c3ccnc(N4CCN(CCOCCOCCOCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)[C@@H](C)C4)c3)n[nH]c2cc1F
InChIInChI=1S/C41H48FN7O9/c1-25(2)58-35-22-31-33(23-32(35)42)45-46-38(31)27-8-9-43-36(20-27)48-11-10-47(26(3)24-48)12-13-54-14-15-55-16-17-56-18-19-57-28-4-5-29-30(21-28)41(53)49(40(29)52)34-6-7-37(50)44-39(34)51/h4-5,8-9,20-23,25-26,34H,6-7,10-19,24H2,1-3H3,(H,45,46)(H,44,50,51)/t26-,34?/m0/s1
InChIKeyURDLQOVVGLPHFV-KAWNSFPOSA-N
MW801.87 g/mol
LogP3.59
Rot. Bonds18

About 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-4-[4-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-4-[4-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (PubChem CID 156867020) has the molecular formula C41H48FN7O9 and a molecular weight of 801.87 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-4-[4-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-4-[4-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
PubChem CID156867020
Molecular FormulaC41H48FN7O9
Molecular Weight801.87 g/mol
Exact Mass801.35
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-4-[4-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
SMILESCC(C)Oc1cc2c(-c3ccnc(N4CCN(CCOCCOCCOCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)[C@@H](C)C4)c3)n[nH]c2cc1F
InChIInChI=1S/C41H48FN7O9/c1-25(2)58-35-22-31-33(23-32(35)42)45-46-38(31)27-8-9-43-36(20-27)48-11-10-47(26(3)24-48)12-13-54-14-15-55-16-17-56-18-19-57-28-4-5-29-30(21-28)41(53)49(40(29)52)34-6-7-37(50)44-39(34)51/h4-5,8-9,20-23,25-26,34H,6-7,10-19,24H2,1-3H3,(H,45,46)(H,44,50,51)/t26-,34?/m0/s1
InChIKeyURDLQOVVGLPHFV-KAWNSFPOSA-N
XLogP3.59
TPSA177.75 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.87
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-4-[4-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-4-[4-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-4-[4-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (CID 156867020) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-4-[4-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-4-[4-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-4-[4-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is CC(C)Oc1cc2c(-c3ccnc(N4CCN(CCOCCOCCOCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)[C@@H](C)C4)c3)n[nH]c2cc1F.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-4-[4-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The InChIKey is URDLQOVVGLPHFV-KAWNSFPOSA-N. The full InChI is InChI=1S/C41H48FN7O9/c1-25(2)58-35-22-31-33(23-32(35)42)45-46-38(31)27-8-9-43-36(20-27)48-11-10-47(26(3)24-48)12-13-54-14-15-55-16-17-56-18-19-57-28-4-5-29-30(21-28)41(53)49(40(29)52)34-6-7-37(50)44-39(34)51/h4-5,8-9,20-23,25-26,34H,6-7,10-19,24H2,1-3H3,(H,45,46)(H,44,50,51)/t26-,34?/m0/s1.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-4-[4-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-4-[4-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 801.87 g/mol, XLogP of 3.59, 18 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[(2S)-4-[4-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 156867020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).