4-[1-(benzenesulfonyl)-3-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

C24H20N4O3S — CID 59812041

IUPAC4-[1-(benzenesulfonyl)-3-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc3c(c2)c(-c2ncco2)cn3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20N4O3S/c1-27(2)19-10-8-17(9-11-19)18-14-21-22(24-25-12-13-31-24)16-28(23(21)26-15-18)32(29,30)20-6-4-3-5-7-20/h3-16H,1-2H3
InChIKeyZDWQHWZLQAEZSA-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.66
Rot. Bonds5

About 4-[1-(benzenesulfonyl)-3-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

4-[1-(benzenesulfonyl)-3-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (PubChem CID 59812041) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)-3-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)-3-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
PubChem CID59812041
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name4-[1-(benzenesulfonyl)-3-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc3c(c2)c(-c2ncco2)cn3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20N4O3S/c1-27(2)19-10-8-17(9-11-19)18-14-21-22(24-25-12-13-31-24)16-28(23(21)26-15-18)32(29,30)20-6-4-3-5-7-20/h3-16H,1-2H3
InChIKeyZDWQHWZLQAEZSA-UHFFFAOYSA-N
XLogP4.66
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)-3-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-(benzenesulfonyl)-3-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (CID 59812041) is 4-[1-(benzenesulfonyl)-3-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-(benzenesulfonyl)-3-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-(benzenesulfonyl)-3-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cnc3c(c2)c(-c2ncco2)cn3S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[1-(benzenesulfonyl)-3-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
The InChIKey is ZDWQHWZLQAEZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-27(2)19-10-8-17(9-11-19)18-14-21-22(24-25-12-13-31-24)16-28(23(21)26-15-18)32(29,30)20-6-4-3-5-7-20/h3-16H,1-2H3.
What are the key properties of 4-[1-(benzenesulfonyl)-3-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
4-[1-(benzenesulfonyl)-3-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline has a molecular weight of 444.52 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)-3-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 59812041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).