6-[2-fluoro-4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione

C26H19F2N5O6 — CID 58041746

IUPAC6-[2-fluoro-4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(N4C(=O)NC5(CC5)C4=O)c(F)c3)NC(=O)NC1=O)C2
InChIInChI=1S/C26H19F2N5O6/c1-39-17-5-3-14-11-32(20(34)18(14)19(17)28)12-26(21(35)29-23(37)30-26)7-6-13-2-4-16(15(27)10-13)33-22(36)25(8-9-25)31-24(33)38/h2-5,10H,8-9,11-12H2,1H3,(H,31,38)(H2,29,30,35,37)/t26-/m1/s1
InChIKeyLYGXFMJLULPLBO-AREMUKBSSA-N
MW535.46 g/mol
LogP1.15
Rot. Bonds4

About 6-[2-fluoro-4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione

6-[2-fluoro-4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 58041746) has the molecular formula C26H19F2N5O6 and a molecular weight of 535.46 g/mol. Its IUPAC name is 6-[2-fluoro-4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

Compound Name6-[2-fluoro-4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
PubChem CID58041746
Molecular FormulaC26H19F2N5O6
Molecular Weight535.46 g/mol
Exact Mass535.13
IUPAC Name6-[2-fluoro-4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(N4C(=O)NC5(CC5)C4=O)c(F)c3)NC(=O)NC1=O)C2
InChIInChI=1S/C26H19F2N5O6/c1-39-17-5-3-14-11-32(20(34)18(14)19(17)28)12-26(21(35)29-23(37)30-26)7-6-13-2-4-16(15(27)10-13)33-22(36)25(8-9-25)31-24(33)38/h2-5,10H,8-9,11-12H2,1H3,(H,31,38)(H2,29,30,35,37)/t26-/m1/s1
InChIKeyLYGXFMJLULPLBO-AREMUKBSSA-N
XLogP1.15
TPSA137.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.46
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[2-fluoro-4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
The IUPAC name of 6-[2-fluoro-4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 58041746) is 6-[2-fluoro-4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione.
What is the SMILES notation for 6-[2-fluoro-4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
The canonical SMILES for 6-[2-fluoro-4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(N4C(=O)NC5(CC5)C4=O)c(F)c3)NC(=O)NC1=O)C2.
What is the InChIKey of 6-[2-fluoro-4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
The InChIKey is LYGXFMJLULPLBO-AREMUKBSSA-N. The full InChI is InChI=1S/C26H19F2N5O6/c1-39-17-5-3-14-11-32(20(34)18(14)19(17)28)12-26(21(35)29-23(37)30-26)7-6-13-2-4-16(15(27)10-13)33-22(36)25(8-9-25)31-24(33)38/h2-5,10H,8-9,11-12H2,1H3,(H,31,38)(H2,29,30,35,37)/t26-/m1/s1.
What are the key properties of 6-[2-fluoro-4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
6-[2-fluoro-4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 535.46 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 58041746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).