5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

C31H32F2N6O6Si — CID 58053120

IUPAC5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(CC1(c3cc4nc(-c5ccc(N)nc5)c(F)cc4o3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2
InChIInChI=1S/C31H32F2N6O6Si/c1-43-21-7-5-18-14-38(28(40)25(18)26(21)33)15-31(29(41)39(30(42)37-31)16-44-9-10-46(2,3)4)23-12-20-22(45-23)11-19(32)27(36-20)17-6-8-24(34)35-13-17/h5-8,11-13H,9-10,14-16H2,1-4H3,(H2,34,35)(H,37,42)
InChIKeyXYDPCNIIAYPVFH-UHFFFAOYSA-N
MW650.72 g/mol
LogP4.47
Rot. Bonds10

About 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (PubChem CID 58053120) has the molecular formula C31H32F2N6O6Si and a molecular weight of 650.72 g/mol. Its IUPAC name is 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
PubChem CID58053120
Molecular FormulaC31H32F2N6O6Si
Molecular Weight650.72 g/mol
Exact Mass650.21
IUPAC Name5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(CC1(c3cc4nc(-c5ccc(N)nc5)c(F)cc4o3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2
InChIInChI=1S/C31H32F2N6O6Si/c1-43-21-7-5-18-14-38(28(40)25(18)26(21)33)15-31(29(41)39(30(42)37-31)16-44-9-10-46(2,3)4)23-12-20-22(45-23)11-19(32)27(36-20)17-6-8-24(34)35-13-17/h5-8,11-13H,9-10,14-16H2,1-4H3,(H2,34,35)(H,37,42)
InChIKeyXYDPCNIIAYPVFH-UHFFFAOYSA-N
XLogP4.47
TPSA153.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.72
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (CID 58053120) is 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(CC1(c3cc4nc(-c5ccc(N)nc5)c(F)cc4o3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2.
What is the InChIKey of 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
The InChIKey is XYDPCNIIAYPVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N6O6Si/c1-43-21-7-5-18-14-38(28(40)25(18)26(21)33)15-31(29(41)39(30(42)37-31)16-44-9-10-46(2,3)4)23-12-20-22(45-23)11-19(32)27(36-20)17-6-8-24(34)35-13-17/h5-8,11-13H,9-10,14-16H2,1-4H3,(H2,34,35)(H,37,42).
What are the key properties of 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione has a molecular weight of 650.72 g/mol, XLogP of 4.47, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 58053120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).