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

C20H16N4O6 — CID 58053678

IUPAC(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(=O)[nH]ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C20H16N4O6/c1-29-11-3-2-10-8-24(17(26)12(10)6-11)9-20(18(27)22-19(28)23-20)15-7-13-14(30-15)4-5-21-16(13)25/h2-7H,8-9H2,1H3,(H,21,25)(H2,22,23,27,28)/t20-/m0/s1
InChIKeyKQGKZDZUQYGOTA-FQEVSTJZSA-N
MW408.37 g/mol
LogP0.82
Rot. Bonds4

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

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione (PubChem CID 58053678) has the molecular formula C20H16N4O6 and a molecular weight of 408.37 g/mol. Its IUPAC name is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
PubChem CID58053678
Molecular FormulaC20H16N4O6
Molecular Weight408.37 g/mol
Exact Mass408.11
IUPAC Name(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(=O)[nH]ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C20H16N4O6/c1-29-11-3-2-10-8-24(17(26)12(10)6-11)9-20(18(27)22-19(28)23-20)15-7-13-14(30-15)4-5-21-16(13)25/h2-7H,8-9H2,1H3,(H,21,25)(H2,22,23,27,28)/t20-/m0/s1
InChIKeyKQGKZDZUQYGOTA-FQEVSTJZSA-N
XLogP0.82
TPSA133.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione (CID 58053678) is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(=O)[nH]ccc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione?
The InChIKey is KQGKZDZUQYGOTA-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H16N4O6/c1-29-11-3-2-10-8-24(17(26)12(10)6-11)9-20(18(27)22-19(28)23-20)15-7-13-14(30-15)4-5-21-16(13)25/h2-7H,8-9H2,1H3,(H,21,25)(H2,22,23,27,28)/t20-/m0/s1.
What are the key properties of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione?
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione has a molecular weight of 408.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 58053678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).