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

C22H18N4O6 — CID 58053519

IUPAC(5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C(C)=O)nccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C22H18N4O6/c1-11(27)18-15-8-17(32-16(15)5-6-23-18)22(20(29)24-21(30)25-22)10-26-9-12-3-4-13(31-2)7-14(12)19(26)28/h3-8H,9-10H2,1-2H3,(H2,24,25,29,30)/t22-/m0/s1
InChIKeyNJTSXVFJOWNGGE-QFIPXVFZSA-N
MW434.41 g/mol
LogP1.73
Rot. Bonds5

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

(5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 58053519) has the molecular formula C22H18N4O6 and a molecular weight of 434.41 g/mol. Its IUPAC name is (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID58053519
Molecular FormulaC22H18N4O6
Molecular Weight434.41 g/mol
Exact Mass434.12
IUPAC Name(5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C(C)=O)nccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C22H18N4O6/c1-11(27)18-15-8-17(32-16(15)5-6-23-18)22(20(29)24-21(30)25-22)10-26-9-12-3-4-13(31-2)7-14(12)19(26)28/h3-8H,9-10H2,1-2H3,(H2,24,25,29,30)/t22-/m0/s1
InChIKeyNJTSXVFJOWNGGE-QFIPXVFZSA-N
XLogP1.73
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
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-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 58053519) is (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C(C)=O)nccc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is NJTSXVFJOWNGGE-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H18N4O6/c1-11(27)18-15-8-17(32-16(15)5-6-23-18)22(20(29)24-21(30)25-22)10-26-9-12-3-4-13(31-2)7-14(12)19(26)28/h3-8H,9-10H2,1-2H3,(H2,24,25,29,30)/t22-/m0/s1.
What are the key properties of (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 434.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 58053519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).