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

C23H23N5O5 — CID 90997820

IUPAC5-[5-(cyclopropylamino)-2,3-dihydrofuro[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(C3Cc4nc(NC5CC5)ccc4O3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H23N5O5/c1-32-14-5-2-12-10-28(20(29)15(12)8-14)11-23(21(30)26-22(31)27-23)18-9-16-17(33-18)6-7-19(25-16)24-13-3-4-13/h2,5-8,13,18H,3-4,9-11H2,1H3,(H,24,25)(H2,26,27,30,31)
InChIKeyDYNBRDLVOWLSPZ-UHFFFAOYSA-N
MW449.47 g/mol
LogP1.20
Rot. Bonds6

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

5-[5-(cyclopropylamino)-2,3-dihydrofuro[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 90997820) has the molecular formula C23H23N5O5 and a molecular weight of 449.47 g/mol. Its IUPAC name is 5-[5-(cyclopropylamino)-2,3-dihydrofuro[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(cyclopropylamino)-2,3-dihydrofuro[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID90997820
Molecular FormulaC23H23N5O5
Molecular Weight449.47 g/mol
Exact Mass449.17
IUPAC Name5-[5-(cyclopropylamino)-2,3-dihydrofuro[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(C3Cc4nc(NC5CC5)ccc4O3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H23N5O5/c1-32-14-5-2-12-10-28(20(29)15(12)8-14)11-23(21(30)26-22(31)27-23)18-9-16-17(33-18)6-7-19(25-16)24-13-3-4-13/h2,5-8,13,18H,3-4,9-11H2,1H3,(H,24,25)(H2,26,27,30,31)
InChIKeyDYNBRDLVOWLSPZ-UHFFFAOYSA-N
XLogP1.20
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[5-(cyclopropylamino)-2,3-dihydrofuro[3,2-b]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 5-[5-(cyclopropylamino)-2,3-dihydrofuro[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[5-(cyclopropylamino)-2,3-dihydrofuro[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 90997820) is 5-[5-(cyclopropylamino)-2,3-dihydrofuro[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[5-(cyclopropylamino)-2,3-dihydrofuro[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[5-(cyclopropylamino)-2,3-dihydrofuro[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(C3Cc4nc(NC5CC5)ccc4O3)NC(=O)NC1=O)C2.
What is the InChIKey of 5-[5-(cyclopropylamino)-2,3-dihydrofuro[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is DYNBRDLVOWLSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5/c1-32-14-5-2-12-10-28(20(29)15(12)8-14)11-23(21(30)26-22(31)27-23)18-9-16-17(33-18)6-7-19(25-16)24-13-3-4-13/h2,5-8,13,18H,3-4,9-11H2,1H3,(H,24,25)(H2,26,27,30,31).
What are the key properties of 5-[5-(cyclopropylamino)-2,3-dihydrofuro[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
5-[5-(cyclopropylamino)-2,3-dihydrofuro[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 449.47 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(cyclopropylamino)-2,3-dihydrofuro[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90997820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).