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

C30H35N3O3SSi — CID 67051485

IUPAC[3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C30H35N3O3SSi/c1-21(2)38(22(3)4,23(5)6)32-14-12-24(18-32)26-16-28-29(25-13-15-36-20-25)19-33(30(28)31-17-26)37(34,35)27-10-8-7-9-11-27/h7-23H,1-6H3
InChIKeyIKPAYPNNOHIEFA-UHFFFAOYSA-N
MW545.78 g/mol
LogP8.03
Rot. Bonds8

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

[3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tri(propan-2-yl)silane (PubChem CID 67051485) 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]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tri(propan-2-yl)silane
PubChem CID67051485
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]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C30H35N3O3SSi/c1-21(2)38(22(3)4,23(5)6)32-14-12-24(18-32)26-16-28-29(25-13-15-36-20-25)19-33(30(28)31-17-26)37(34,35)27-10-8-7-9-11-27/h7-23H,1-6H3
InChIKeyIKPAYPNNOHIEFA-UHFFFAOYSA-N
XLogP8.03
TPSA70.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
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]-tri(propan-2-yl)silane?
The IUPAC name of [3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tri(propan-2-yl)silane (CID 67051485) is [3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)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]-tri(propan-2-yl)silane?
The InChIKey is IKPAYPNNOHIEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3SSi/c1-21(2)38(22(3)4,23(5)6)32-14-12-24(18-32)26-16-28-29(25-13-15-36-20-25)19-33(30(28)31-17-26)37(34,35)27-10-8-7-9-11-27/h7-23H,1-6H3.
What are the key properties of [3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tri(propan-2-yl)silane?
[3-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tri(propan-2-yl)silane has a molecular weight of 545.78 g/mol, XLogP of 8.03, 8 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]-tri(propan-2-yl)silane is sourced from PubChem (CID 67051485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).