[(1Z)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-[2-(ethylamino)thieno[2,3-c]pyridin-3-yl]methanone

C25H31N3O2SSi — CID 87867975

IUPAC[(1Z)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-[2-(ethylamino)thieno[2,3-c]pyridin-3-yl]methanone
SMILESCCNc1sc2cnccc2c1C(=O)c1ccc2c(c1)CC/C2=N/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H31N3O2SSi/c1-7-27-24-22(19-12-13-26-15-21(19)31-24)23(29)17-8-10-18-16(14-17)9-11-20(18)28-30-32(5,6)25(2,3)4/h8,10,12-15,27H,7,9,11H2,1-6H3/b28-20-
InChIKeyWERVUMISZCKPER-RRAHZORUSA-N
MW465.70 g/mol
LogP6.63
Rot. Bonds6

About [(1Z)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-[2-(ethylamino)thieno[2,3-c]pyridin-3-yl]methanone

[(1Z)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-[2-(ethylamino)thieno[2,3-c]pyridin-3-yl]methanone (PubChem CID 87867975) has the molecular formula C25H31N3O2SSi and a molecular weight of 465.70 g/mol. Its IUPAC name is [(1Z)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-[2-(ethylamino)thieno[2,3-c]pyridin-3-yl]methanone.

Molecular Properties

Compound Name[(1Z)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-[2-(ethylamino)thieno[2,3-c]pyridin-3-yl]methanone
PubChem CID87867975
Molecular FormulaC25H31N3O2SSi
Molecular Weight465.70 g/mol
Exact Mass465.19
IUPAC Name[(1Z)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-[2-(ethylamino)thieno[2,3-c]pyridin-3-yl]methanone
SMILESCCNc1sc2cnccc2c1C(=O)c1ccc2c(c1)CC/C2=N/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H31N3O2SSi/c1-7-27-24-22(19-12-13-26-15-21(19)31-24)23(29)17-8-10-18-16(14-17)9-11-20(18)28-30-32(5,6)25(2,3)4/h8,10,12-15,27H,7,9,11H2,1-6H3/b28-20-
InChIKeyWERVUMISZCKPER-RRAHZORUSA-N
XLogP6.63
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.70
LogP ≤ 56.63
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'}

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Frequently Asked Questions

What is the IUPAC name of [(1Z)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-[2-(ethylamino)thieno[2,3-c]pyridin-3-yl]methanone?
The IUPAC name of [(1Z)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-[2-(ethylamino)thieno[2,3-c]pyridin-3-yl]methanone (CID 87867975) is [(1Z)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-[2-(ethylamino)thieno[2,3-c]pyridin-3-yl]methanone.
What is the SMILES notation for [(1Z)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-[2-(ethylamino)thieno[2,3-c]pyridin-3-yl]methanone?
The canonical SMILES for [(1Z)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-[2-(ethylamino)thieno[2,3-c]pyridin-3-yl]methanone is CCNc1sc2cnccc2c1C(=O)c1ccc2c(c1)CC/C2=N/O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1Z)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-[2-(ethylamino)thieno[2,3-c]pyridin-3-yl]methanone?
The InChIKey is WERVUMISZCKPER-RRAHZORUSA-N. The full InChI is InChI=1S/C25H31N3O2SSi/c1-7-27-24-22(19-12-13-26-15-21(19)31-24)23(29)17-8-10-18-16(14-17)9-11-20(18)28-30-32(5,6)25(2,3)4/h8,10,12-15,27H,7,9,11H2,1-6H3/b28-20-.
What are the key properties of [(1Z)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-[2-(ethylamino)thieno[2,3-c]pyridin-3-yl]methanone?
[(1Z)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-[2-(ethylamino)thieno[2,3-c]pyridin-3-yl]methanone has a molecular weight of 465.70 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-[2-(ethylamino)thieno[2,3-c]pyridin-3-yl]methanone is sourced from PubChem (CID 87867975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).