4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

C24H20FN5O2S — CID 59812191

IUPAC4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5ccccc5F)c4)c3c2)cc1
InChIInChI=1S/C24H20FN5O2S/c1-29(2)19-9-7-16(8-10-19)17-11-20-21(14-27-24(20)26-12-17)18-13-28-30(15-18)33(31,32)23-6-4-3-5-22(23)25/h3-15H,1-2H3,(H,26,27)
InChIKeyFKWIYPKURPWKQQ-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.54
Rot. Bonds5

About 4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (PubChem CID 59812191) has the molecular formula C24H20FN5O2S and a molecular weight of 461.52 g/mol. Its IUPAC name is 4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
PubChem CID59812191
Molecular FormulaC24H20FN5O2S
Molecular Weight461.52 g/mol
Exact Mass461.13
IUPAC Name4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5ccccc5F)c4)c3c2)cc1
InChIInChI=1S/C24H20FN5O2S/c1-29(2)19-9-7-16(8-10-19)17-11-20-21(14-27-24(20)26-12-17)18-13-28-30(15-18)33(31,32)23-6-4-3-5-22(23)25/h3-15H,1-2H3,(H,26,27)
InChIKeyFKWIYPKURPWKQQ-UHFFFAOYSA-N
XLogP4.54
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (CID 59812191) is 4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5ccccc5F)c4)c3c2)cc1.
What is the InChIKey of 4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
The InChIKey is FKWIYPKURPWKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2S/c1-29(2)19-9-7-16(8-10-19)17-11-20-21(14-27-24(20)26-12-17)18-13-28-30(15-18)33(31,32)23-6-4-3-5-22(23)25/h3-15H,1-2H3,(H,26,27).
What are the key properties of 4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline has a molecular weight of 461.52 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(2-fluorophenyl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 59812191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).