4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile

C29H30N4O2Si — CID 86611091

IUPAC4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile
SMILESCC(C)(C)[Si](C)(C)ON=C1CCc2cc(Nc3c(-c4ccc(C#N)cc4)oc4cnccc34)ccc21
InChIInChI=1S/C29H30N4O2Si/c1-29(2,3)36(4,5)35-33-25-13-10-21-16-22(11-12-23(21)25)32-27-24-14-15-31-18-26(24)34-28(27)20-8-6-19(17-30)7-9-20/h6-9,11-12,14-16,18,32H,10,13H2,1-5H3
InChIKeyWQXIPEFCIJRODQ-UHFFFAOYSA-N
MW494.67 g/mol
LogP7.78
Rot. Bonds5

About 4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile

4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile (PubChem CID 86611091) has the molecular formula C29H30N4O2Si and a molecular weight of 494.67 g/mol. Its IUPAC name is 4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile
PubChem CID86611091
Molecular FormulaC29H30N4O2Si
Molecular Weight494.67 g/mol
Exact Mass494.21
IUPAC Name4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile
SMILESCC(C)(C)[Si](C)(C)ON=C1CCc2cc(Nc3c(-c4ccc(C#N)cc4)oc4cnccc34)ccc21
InChIInChI=1S/C29H30N4O2Si/c1-29(2,3)36(4,5)35-33-25-13-10-21-16-22(11-12-23(21)25)32-27-24-14-15-31-18-26(24)34-28(27)20-8-6-19(17-30)7-9-20/h6-9,11-12,14-16,18,32H,10,13H2,1-5H3
InChIKeyWQXIPEFCIJRODQ-UHFFFAOYSA-N
XLogP7.78
TPSA83.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.67
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile?
The IUPAC name of 4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile (CID 86611091) is 4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile?
The canonical SMILES for 4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile is CC(C)(C)[Si](C)(C)ON=C1CCc2cc(Nc3c(-c4ccc(C#N)cc4)oc4cnccc34)ccc21.
What is the InChIKey of 4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile?
The InChIKey is WQXIPEFCIJRODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2Si/c1-29(2,3)36(4,5)35-33-25-13-10-21-16-22(11-12-23(21)25)32-27-24-14-15-31-18-26(24)34-28(27)20-8-6-19(17-30)7-9-20/h6-9,11-12,14-16,18,32H,10,13H2,1-5H3.
What are the key properties of 4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile?
4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile has a molecular weight of 494.67 g/mol, XLogP of 7.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 86611091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).