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

C22H19N5O5 — CID 91344128

IUPAC5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-[(methylideneamino)methyl]furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione
SMILESC=NCc1cc2oc(C3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2cn1
InChIInChI=1S/C22H19N5O5/c1-23-9-14-6-17-13(8-24-14)5-18(32-17)22(20(29)25-21(30)26-22)11-27-10-12-3-4-15(31-2)7-16(12)19(27)28/h3-8H,1,9-11H2,2H3,(H2,25,26,29,30)
InChIKeyJPEKKRJOABGHSE-UHFFFAOYSA-N
MW433.42 g/mol
LogP1.73
Rot. Bonds6

About 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

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 (PubChem CID 91344128) has the molecular formula C22H19N5O5 and a molecular weight of 433.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-[(methylideneamino)methyl]furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione
PubChem CID91344128
Molecular FormulaC22H19N5O5
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC Name5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-[(methylideneamino)methyl]furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione
SMILESC=NCc1cc2oc(C3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2cn1
InChIInChI=1S/C22H19N5O5/c1-23-9-14-6-17-13(8-24-14)5-18(32-17)22(20(29)25-21(30)26-22)11-27-10-12-3-4-15(31-2)7-16(12)19(27)28/h3-8H,1,9-11H2,2H3,(H2,25,26,29,30)
InChIKeyJPEKKRJOABGHSE-UHFFFAOYSA-N
XLogP1.73
TPSA126.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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
5-(1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 76680334
(5S)-5-[6-(2,5-dioxoimidazolidin-4-yl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 24889016
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
(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
(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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(4-methoxy-3-pyridinyl)-1-benzofuran-2-yl]imidazolidine-2,4-dione
CID 70234895
(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
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,2,4-triazol-1-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione
CID 58053747
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione
CID 75171753
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-pyrazol-4-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione
CID 76680042
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=NCc1cc2oc(C3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2cn1.
What is the InChIKey of 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?
The InChIKey is JPEKKRJOABGHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5/c1-23-9-14-6-17-13(8-24-14)5-18(32-17)22(20(29)25-21(30)26-22)11-27-10-12-3-4-15(31-2)7-16(12)19(27)28/h3-8H,1,9-11H2,2H3,(H2,25,26,29,30).
What are the key properties of 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?
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 has a molecular weight of 433.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91344128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).