(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-methyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]imidazolidine-2,4-dione

C22H16N4O5 — CID 45273990

IUPAC(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-methyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCc1cc2c3c(ccc2o1)CN(C[C@@]1(c2cc4ncccc4o2)NC(=O)NC1=O)C3=O
InChIInChI=1S/C22H16N4O5/c1-11-7-13-15(30-11)5-4-12-9-26(19(27)18(12)13)10-22(20(28)24-21(29)25-22)17-8-14-16(31-17)3-2-6-23-14/h2-8H,9-10H2,1H3,(H2,24,25,28,29)/t22-/m0/s1
InChIKeyAEHLWDHCWVYUOF-QFIPXVFZSA-N
MW416.39 g/mol
LogP2.57
Rot. Bonds3

About (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-methyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-methyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 45273990) has the molecular formula C22H16N4O5 and a molecular weight of 416.39 g/mol. Its IUPAC name is (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-methyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-methyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID45273990
Molecular FormulaC22H16N4O5
Molecular Weight416.39 g/mol
Exact Mass416.11
IUPAC Name(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-methyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCc1cc2c3c(ccc2o1)CN(C[C@@]1(c2cc4ncccc4o2)NC(=O)NC1=O)C3=O
InChIInChI=1S/C22H16N4O5/c1-11-7-13-15(30-11)5-4-12-9-26(19(27)18(12)13)10-22(20(28)24-21(29)25-22)17-8-14-16(31-17)3-2-6-23-14/h2-8H,9-10H2,1H3,(H2,24,25,28,29)/t22-/m0/s1
InChIKeyAEHLWDHCWVYUOF-QFIPXVFZSA-N
XLogP2.57
TPSA117.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-methyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-methyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-methyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 45273990) is (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-methyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-methyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-methyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]imidazolidine-2,4-dione is Cc1cc2c3c(ccc2o1)CN(C[C@@]1(c2cc4ncccc4o2)NC(=O)NC1=O)C3=O.
What is the InChIKey of (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-methyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is AEHLWDHCWVYUOF-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H16N4O5/c1-11-7-13-15(30-11)5-4-12-9-26(19(27)18(12)13)10-22(20(28)24-21(29)25-22)17-8-14-16(31-17)3-2-6-23-14/h2-8H,9-10H2,1H3,(H2,24,25,28,29)/t22-/m0/s1.
What are the key properties of (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-methyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-methyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 416.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-methyl-1-oxo-3H-furo[3,2-e]isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45273990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).