5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one

C15H13BrN2O2S — CID 79343678

IUPAC5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(N3CCc4sccc4C3)c(Br)cc2C1O
InChIInChI=1S/C15H13BrN2O2S/c16-10-5-9-11(17-15(20)14(9)19)6-12(10)18-3-1-13-8(7-18)2-4-21-13/h2,4-6,14,19H,1,3,7H2,(H,17,20)
InChIKeyOLVAULGKDDAFOY-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.06
Rot. Bonds1

About 5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one

5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 79343678) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID79343678
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(N3CCc4sccc4C3)c(Br)cc2C1O
InChIInChI=1S/C15H13BrN2O2S/c16-10-5-9-11(17-15(20)14(9)19)6-12(10)18-3-1-13-8(7-18)2-4-21-13/h2,4-6,14,19H,1,3,7H2,(H,17,20)
InChIKeyOLVAULGKDDAFOY-UHFFFAOYSA-N
XLogP3.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one (CID 79343678) is 5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(N3CCc4sccc4C3)c(Br)cc2C1O.
What is the InChIKey of 5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is OLVAULGKDDAFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c16-10-5-9-11(17-15(20)14(9)19)6-12(10)18-3-1-13-8(7-18)2-4-21-13/h2,4-6,14,19H,1,3,7H2,(H,17,20).
What are the key properties of 5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one?
5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 365.25 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79343678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).