(5S)-5-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C22H20N4O5 — CID 58053823

IUPAC(5S)-5-(4,6-dimethylfuro[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)nc(C)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C22H20N4O5/c1-11-6-17-15(12(2)23-11)8-18(31-17)22(20(28)24-21(29)25-22)10-26-9-13-4-5-14(30-3)7-16(13)19(26)27/h4-8H,9-10H2,1-3H3,(H2,24,25,28,29)/t22-/m0/s1
InChIKeyFMTFEFZJEIZTPJ-QFIPXVFZSA-N
MW420.43 g/mol
LogP2.14
Rot. Bonds4

About (5S)-5-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5S)-5-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 58053823) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is (5S)-5-(4,6-dimethylfuro[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-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID58053823
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC Name(5S)-5-(4,6-dimethylfuro[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)nc(C)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C22H20N4O5/c1-11-6-17-15(12(2)23-11)8-18(31-17)22(20(28)24-21(29)25-22)10-26-9-13-4-5-14(30-3)7-16(13)19(26)27/h4-8H,9-10H2,1-3H3,(H2,24,25,28,29)/t22-/m0/s1
InChIKeyFMTFEFZJEIZTPJ-QFIPXVFZSA-N
XLogP2.14
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5S)-5-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-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-(4,6-dimethylfuro[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-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 58053823) is (5S)-5-(4,6-dimethylfuro[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-(4,6-dimethylfuro[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-(4,6-dimethylfuro[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)nc(C)cc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is FMTFEFZJEIZTPJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-11-6-17-15(12(2)23-11)8-18(31-17)22(20(28)24-21(29)25-22)10-26-9-13-4-5-14(30-3)7-16(13)19(26)27/h4-8H,9-10H2,1-3H3,(H2,24,25,28,29)/t22-/m0/s1.
What are the key properties of (5S)-5-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-(4,6-dimethylfuro[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 420.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4,6-dimethylfuro[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 58053823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).