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

C24H22N4O6 — CID 58053132

IUPAC(5S)-5-[5-(1-ethoxyethenyl)furo[2,3-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESC=C(OCC)c1cnc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2c1
InChIInChI=1S/C24H22N4O6/c1-4-33-13(2)16-7-15-8-19(34-20(15)25-10-16)24(22(30)26-23(31)27-24)12-28-11-14-5-6-17(32-3)9-18(14)21(28)29/h5-10H,2,4,11-12H2,1,3H3,(H2,26,27,30,31)/t24-/m0/s1
InChIKeyCPVSMKQLJMSATP-DEOSSOPVSA-N
MW462.46 g/mol
LogP2.53
Rot. Bonds7

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

(5S)-5-[5-(1-ethoxyethenyl)furo[2,3-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 58053132) has the molecular formula C24H22N4O6 and a molecular weight of 462.46 g/mol. Its IUPAC name is (5S)-5-[5-(1-ethoxyethenyl)furo[2,3-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[5-(1-ethoxyethenyl)furo[2,3-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID58053132
Molecular FormulaC24H22N4O6
Molecular Weight462.46 g/mol
Exact Mass462.15
IUPAC Name(5S)-5-[5-(1-ethoxyethenyl)furo[2,3-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESC=C(OCC)c1cnc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2c1
InChIInChI=1S/C24H22N4O6/c1-4-33-13(2)16-7-15-8-19(34-20(15)25-10-16)24(22(30)26-23(31)27-24)12-28-11-14-5-6-17(32-3)9-18(14)21(28)29/h5-10H,2,4,11-12H2,1,3H3,(H2,26,27,30,31)/t24-/m0/s1
InChIKeyCPVSMKQLJMSATP-DEOSSOPVSA-N
XLogP2.53
TPSA123.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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

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Related Compounds

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxopropyl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 58053905
(5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 158870735
5-(1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 76680334
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)furo[2,3-d]pyrimidin-6-yl]imidazolidine-2,4-dione
CID 76680059
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-[(methylideneamino)methyl]furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione
CID 91344128
5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 75171635
5-[6-(2-fluorophenyl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 75166597
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[1-[2-(methylamino)ethylamino]ethenyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 70235435
(5S)-5-(5-cyclopropylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46199982
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione
CID 71176706
ethyl 3-hydroxy-4-iodobenzoate;ethyl 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylate;3-hydroxy-4-iodobenzoic acid;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylic acid
CID 159358260
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 77403584

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[5-(1-ethoxyethenyl)furo[2,3-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[5-(1-ethoxyethenyl)furo[2,3-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 58053132) is (5S)-5-[5-(1-ethoxyethenyl)furo[2,3-b]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-[5-(1-ethoxyethenyl)furo[2,3-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[5-(1-ethoxyethenyl)furo[2,3-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is C=C(OCC)c1cnc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2c1.
What is the InChIKey of (5S)-5-[5-(1-ethoxyethenyl)furo[2,3-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is CPVSMKQLJMSATP-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H22N4O6/c1-4-33-13(2)16-7-15-8-19(34-20(15)25-10-16)24(22(30)26-23(31)27-24)12-28-11-14-5-6-17(32-3)9-18(14)21(28)29/h5-10H,2,4,11-12H2,1,3H3,(H2,26,27,30,31)/t24-/m0/s1.
What are the key properties of (5S)-5-[5-(1-ethoxyethenyl)furo[2,3-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-[5-(1-ethoxyethenyl)furo[2,3-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 462.46 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[5-(1-ethoxyethenyl)furo[2,3-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 58053132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).