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

C22H20N4O6 — CID 46190108

IUPAC(5S)-5-furo[3,2-c]pyridin-2-yl-3-(methoxymethyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOCN1C(=O)N[C@@](CN2Cc3ccc(OC)cc3C2=O)(c2cc3cnccc3o2)C1=O
InChIInChI=1S/C22H20N4O6/c1-30-12-26-20(28)22(24-21(26)29,18-7-14-9-23-6-5-17(14)32-18)11-25-10-13-3-4-15(31-2)8-16(13)19(25)27/h3-9H,10-12H2,1-2H3,(H,24,29)/t22-/m0/s1
InChIKeyUGGIQVAYXRKVNF-QFIPXVFZSA-N
MW436.42 g/mol
LogP1.84
Rot. Bonds6

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

(5S)-5-furo[3,2-c]pyridin-2-yl-3-(methoxymethyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 46190108) has the molecular formula C22H20N4O6 and a molecular weight of 436.42 g/mol. Its IUPAC name is (5S)-5-furo[3,2-c]pyridin-2-yl-3-(methoxymethyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-furo[3,2-c]pyridin-2-yl-3-(methoxymethyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID46190108
Molecular FormulaC22H20N4O6
Molecular Weight436.42 g/mol
Exact Mass436.14
IUPAC Name(5S)-5-furo[3,2-c]pyridin-2-yl-3-(methoxymethyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOCN1C(=O)N[C@@](CN2Cc3ccc(OC)cc3C2=O)(c2cc3cnccc3o2)C1=O
InChIInChI=1S/C22H20N4O6/c1-30-12-26-20(28)22(24-21(26)29,18-7-14-9-23-6-5-17(14)32-18)11-25-10-13-3-4-15(31-2)8-16(13)19(25)27/h3-9H,10-12H2,1-2H3,(H,24,29)/t22-/m0/s1
InChIKeyUGGIQVAYXRKVNF-QFIPXVFZSA-N
XLogP1.84
TPSA114.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
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-furo[3,2-c]pyridin-2-yl-3-(methoxymethyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-furo[3,2-c]pyridin-2-yl-3-(methoxymethyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 46190108) is (5S)-5-furo[3,2-c]pyridin-2-yl-3-(methoxymethyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-furo[3,2-c]pyridin-2-yl-3-(methoxymethyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-furo[3,2-c]pyridin-2-yl-3-(methoxymethyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COCN1C(=O)N[C@@](CN2Cc3ccc(OC)cc3C2=O)(c2cc3cnccc3o2)C1=O.
What is the InChIKey of (5S)-5-furo[3,2-c]pyridin-2-yl-3-(methoxymethyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is UGGIQVAYXRKVNF-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H20N4O6/c1-30-12-26-20(28)22(24-21(26)29,18-7-14-9-23-6-5-17(14)32-18)11-25-10-13-3-4-15(31-2)8-16(13)19(25)27/h3-9H,10-12H2,1-2H3,(H,24,29)/t22-/m0/s1.
What are the key properties of (5S)-5-furo[3,2-c]pyridin-2-yl-3-(methoxymethyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-furo[3,2-c]pyridin-2-yl-3-(methoxymethyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 436.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-furo[3,2-c]pyridin-2-yl-3-(methoxymethyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46190108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).