(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione

C25H18N4O6 — CID 70235520

IUPAC(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2cc3cc(-c4cccc(O)c4)ncc3o2)N1
InChIInChI=1S/C25H18N4O6/c30-16-3-1-2-13(6-16)19-7-15-8-21(35-20(15)10-26-19)25(23(33)27-24(34)28-25)12-29-11-14-4-5-17(31)9-18(14)22(29)32/h1-10,30-31H,11-12H2,(H2,27,28,33,34)/t25-/m0/s1
InChIKeyPBRQOFOJZDHMJJ-VWLOTQADSA-N
MW470.44 g/mol
LogP2.60
Rot. Bonds4

About (5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione

(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 70235520) has the molecular formula C25H18N4O6 and a molecular weight of 470.44 g/mol. Its IUPAC name is (5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione
PubChem CID70235520
Molecular FormulaC25H18N4O6
Molecular Weight470.44 g/mol
Exact Mass470.12
IUPAC Name(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2cc3cc(-c4cccc(O)c4)ncc3o2)N1
InChIInChI=1S/C25H18N4O6/c30-16-3-1-2-13(6-16)19-7-15-8-21(35-20(15)10-26-19)25(23(33)27-24(34)28-25)12-29-11-14-4-5-17(31)9-18(14)22(29)32/h1-10,30-31H,11-12H2,(H2,27,28,33,34)/t25-/m0/s1
InChIKeyPBRQOFOJZDHMJJ-VWLOTQADSA-N
XLogP2.60
TPSA145.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.44
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione (CID 70235520) is (5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2cc3cc(-c4cccc(O)c4)ncc3o2)N1.
What is the InChIKey of (5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione?
The InChIKey is PBRQOFOJZDHMJJ-VWLOTQADSA-N. The full InChI is InChI=1S/C25H18N4O6/c30-16-3-1-2-13(6-16)19-7-15-8-21(35-20(15)10-26-19)25(23(33)27-24(34)28-25)12-29-11-14-4-5-17(31)9-18(14)22(29)32/h1-10,30-31H,11-12H2,(H2,27,28,33,34)/t25-/m0/s1.
What are the key properties of (5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione?
(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 470.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 70235520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).