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

C27H21FN4O4 — CID 58054032

IUPAC(5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluorophenyl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCCc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(-c5ccccc5F)nccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C27H21FN4O4/c1-2-15-7-8-16-13-32(24(33)18(16)11-15)14-27(25(34)30-26(35)31-27)22-12-19-21(36-22)9-10-29-23(19)17-5-3-4-6-20(17)28/h3-12H,2,13-14H2,1H3,(H2,30,31,34,35)/t27-/m0/s1
InChIKeySGFYLSJSLUZPEO-MHZLTWQESA-N
MW484.49 g/mol
LogP3.89
Rot. Bonds5

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

(5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluorophenyl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 58054032) has the molecular formula C27H21FN4O4 and a molecular weight of 484.49 g/mol. Its IUPAC name is (5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluorophenyl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluorophenyl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione
PubChem CID58054032
Molecular FormulaC27H21FN4O4
Molecular Weight484.49 g/mol
Exact Mass484.15
IUPAC Name(5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluorophenyl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCCc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(-c5ccccc5F)nccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C27H21FN4O4/c1-2-15-7-8-16-13-32(24(33)18(16)11-15)14-27(25(34)30-26(35)31-27)22-12-19-21(36-22)9-10-29-23(19)17-5-3-4-6-20(17)28/h3-12H,2,13-14H2,1H3,(H2,30,31,34,35)/t27-/m0/s1
InChIKeySGFYLSJSLUZPEO-MHZLTWQESA-N
XLogP3.89
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluorophenyl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluorophenyl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione (CID 58054032) is (5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluorophenyl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluorophenyl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluorophenyl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione is CCc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(-c5ccccc5F)nccc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluorophenyl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione?
The InChIKey is SGFYLSJSLUZPEO-MHZLTWQESA-N. The full InChI is InChI=1S/C27H21FN4O4/c1-2-15-7-8-16-13-32(24(33)18(16)11-15)14-27(25(34)30-26(35)31-27)22-12-19-21(36-22)9-10-29-23(19)17-5-3-4-6-20(17)28/h3-12H,2,13-14H2,1H3,(H2,30,31,34,35)/t27-/m0/s1.
What are the key properties of (5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluorophenyl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione?
(5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluorophenyl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 484.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluorophenyl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 58054032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).