2-[2-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone

C24H32FNO2SSi — CID 58516939

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone
SMILESCC(C)(C)[Si](C)(C)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2
InChIInChI=1S/C24H32FNO2SSi/c1-24(2,3)30(4,5)28-21-14-17-15-26(13-12-20(17)29-21)22(23(27)16-10-11-16)18-8-6-7-9-19(18)25/h6-9,14,16,22H,10-13,15H2,1-5H3
InChIKeyJXKWYJOETGEQIV-UHFFFAOYSA-N
MW445.68 g/mol
LogP6.35
Rot. Bonds6

About 2-[2-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone

2-[2-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone (PubChem CID 58516939) has the molecular formula C24H32FNO2SSi and a molecular weight of 445.68 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone
PubChem CID58516939
Molecular FormulaC24H32FNO2SSi
Molecular Weight445.68 g/mol
Exact Mass445.19
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone
SMILESCC(C)(C)[Si](C)(C)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2
InChIInChI=1S/C24H32FNO2SSi/c1-24(2,3)30(4,5)28-21-14-17-15-26(13-12-20(17)29-21)22(23(27)16-10-11-16)18-8-6-7-9-19(18)25/h6-9,14,16,22H,10-13,15H2,1-5H3
InChIKeyJXKWYJOETGEQIV-UHFFFAOYSA-N
XLogP6.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.68
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone (CID 58516939) is 2-[2-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone is CC(C)(C)[Si](C)(C)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone?
The InChIKey is JXKWYJOETGEQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FNO2SSi/c1-24(2,3)30(4,5)28-21-14-17-15-26(13-12-20(17)29-21)22(23(27)16-10-11-16)18-8-6-7-9-19(18)25/h6-9,14,16,22H,10-13,15H2,1-5H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone?
2-[2-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone has a molecular weight of 445.68 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 58516939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).