[3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tripropylsilane

C30H35N3O3SSi — CID 58758497

IUPAC[3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tripropylsilane
SMILESCCC[Si](CCC)(CCC)n1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C30H35N3O3SSi/c1-4-16-38(17-5-2,18-6-3)32-14-12-24(21-32)26-19-28-29(25-13-15-36-23-25)22-33(30(28)31-20-26)37(34,35)27-10-8-7-9-11-27/h7-15,19-23H,4-6,16-18H2,1-3H3
InChIKeyJKQCBXMOLNPSAW-UHFFFAOYSA-N
MW545.78 g/mol
LogP8.03
Rot. Bonds11

About [3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tripropylsilane

[3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tripropylsilane (PubChem CID 58758497) has the molecular formula C30H35N3O3SSi and a molecular weight of 545.78 g/mol. Its IUPAC name is [3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tripropylsilane.

Molecular Properties

Compound Name[3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tripropylsilane
PubChem CID58758497
Molecular FormulaC30H35N3O3SSi
Molecular Weight545.78 g/mol
Exact Mass545.22
IUPAC Name[3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tripropylsilane
SMILESCCC[Si](CCC)(CCC)n1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C30H35N3O3SSi/c1-4-16-38(17-5-2,18-6-3)32-14-12-24(21-32)26-19-28-29(25-13-15-36-23-25)22-33(30(28)31-20-26)37(34,35)27-10-8-7-9-11-27/h7-15,19-23H,4-6,16-18H2,1-3H3
InChIKeyJKQCBXMOLNPSAW-UHFFFAOYSA-N
XLogP8.03
TPSA70.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.78
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 [3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tripropylsilane?
The IUPAC name of [3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tripropylsilane (CID 58758497) is [3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tripropylsilane.
What is the SMILES notation for [3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tripropylsilane?
The canonical SMILES for [3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tripropylsilane is CCC[Si](CCC)(CCC)n1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of [3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tripropylsilane?
The InChIKey is JKQCBXMOLNPSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3SSi/c1-4-16-38(17-5-2,18-6-3)32-14-12-24(21-32)26-19-28-29(25-13-15-36-23-25)22-33(30(28)31-20-26)37(34,35)27-10-8-7-9-11-27/h7-15,19-23H,4-6,16-18H2,1-3H3.
What are the key properties of [3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tripropylsilane?
[3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tripropylsilane has a molecular weight of 545.78 g/mol, XLogP of 8.03, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tripropylsilane is sourced from PubChem (CID 58758497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).