4-[1-[tert-butyl(dimethyl)silyl]-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

C25H31N3OSi — CID 59811991

IUPAC4-[1-[tert-butyl(dimethyl)silyl]-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C25H31N3OSi/c1-25(2,3)30(6,7)28-16-23(19-12-13-29-17-19)22-14-20(15-26-24(22)28)18-8-10-21(11-9-18)27(4)5/h8-17H,1-7H3
InChIKeyWPJIIQHJEPTOMD-UHFFFAOYSA-N
MW417.63 g/mol
LogP6.88
Rot. Bonds4

About 4-[1-[tert-butyl(dimethyl)silyl]-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

4-[1-[tert-butyl(dimethyl)silyl]-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (PubChem CID 59811991) has the molecular formula C25H31N3OSi and a molecular weight of 417.63 g/mol. Its IUPAC name is 4-[1-[tert-butyl(dimethyl)silyl]-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-[tert-butyl(dimethyl)silyl]-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
PubChem CID59811991
Molecular FormulaC25H31N3OSi
Molecular Weight417.63 g/mol
Exact Mass417.22
IUPAC Name4-[1-[tert-butyl(dimethyl)silyl]-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C25H31N3OSi/c1-25(2,3)30(6,7)28-16-23(19-12-13-29-17-19)22-14-20(15-26-24(22)28)18-8-10-21(11-9-18)27(4)5/h8-17H,1-7H3
InChIKeyWPJIIQHJEPTOMD-UHFFFAOYSA-N
XLogP6.88
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.63
LogP ≤ 56.88
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 4-[1-[tert-butyl(dimethyl)silyl]-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-[tert-butyl(dimethyl)silyl]-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (CID 59811991) is 4-[1-[tert-butyl(dimethyl)silyl]-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-[tert-butyl(dimethyl)silyl]-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-[tert-butyl(dimethyl)silyl]-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 4-[1-[tert-butyl(dimethyl)silyl]-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
The InChIKey is WPJIIQHJEPTOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3OSi/c1-25(2,3)30(6,7)28-16-23(19-12-13-29-17-19)22-14-20(15-26-24(22)28)18-8-10-21(11-9-18)27(4)5/h8-17H,1-7H3.
What are the key properties of 4-[1-[tert-butyl(dimethyl)silyl]-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
4-[1-[tert-butyl(dimethyl)silyl]-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline has a molecular weight of 417.63 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[tert-butyl(dimethyl)silyl]-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 59811991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).