3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(4-fluorophenyl)imidazo[4,5-b]pyridine

C21H21FN6O2S — CID 53186966

IUPAC3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(4-fluorophenyl)imidazo[4,5-b]pyridine
SMILESCCn1cc(S(=O)(=O)N2CCC(n3c(-c4ccc(F)cc4)nc4cccnc43)C2)cn1
InChIInChI=1S/C21H21FN6O2S/c1-2-26-14-18(12-24-26)31(29,30)27-11-9-17(13-27)28-20(15-5-7-16(22)8-6-15)25-19-4-3-10-23-21(19)28/h3-8,10,12,14,17H,2,9,11,13H2,1H3
InChIKeyGEOXDGVSQAAKKC-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.09
Rot. Bonds5

About 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(4-fluorophenyl)imidazo[4,5-b]pyridine

3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(4-fluorophenyl)imidazo[4,5-b]pyridine (PubChem CID 53186966) has the molecular formula C21H21FN6O2S and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(4-fluorophenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(4-fluorophenyl)imidazo[4,5-b]pyridine
PubChem CID53186966
Molecular FormulaC21H21FN6O2S
Molecular Weight440.50 g/mol
Exact Mass440.14
IUPAC Name3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(4-fluorophenyl)imidazo[4,5-b]pyridine
SMILESCCn1cc(S(=O)(=O)N2CCC(n3c(-c4ccc(F)cc4)nc4cccnc43)C2)cn1
InChIInChI=1S/C21H21FN6O2S/c1-2-26-14-18(12-24-26)31(29,30)27-11-9-17(13-27)28-20(15-5-7-16(22)8-6-15)25-19-4-3-10-23-21(19)28/h3-8,10,12,14,17H,2,9,11,13H2,1H3
InChIKeyGEOXDGVSQAAKKC-UHFFFAOYSA-N
XLogP3.09
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(4-fluorophenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(4-fluorophenyl)imidazo[4,5-b]pyridine (CID 53186966) is 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(4-fluorophenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(4-fluorophenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(4-fluorophenyl)imidazo[4,5-b]pyridine is CCn1cc(S(=O)(=O)N2CCC(n3c(-c4ccc(F)cc4)nc4cccnc43)C2)cn1.
What is the InChIKey of 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(4-fluorophenyl)imidazo[4,5-b]pyridine?
The InChIKey is GEOXDGVSQAAKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2S/c1-2-26-14-18(12-24-26)31(29,30)27-11-9-17(13-27)28-20(15-5-7-16(22)8-6-15)25-19-4-3-10-23-21(19)28/h3-8,10,12,14,17H,2,9,11,13H2,1H3.
What are the key properties of 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(4-fluorophenyl)imidazo[4,5-b]pyridine?
3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(4-fluorophenyl)imidazo[4,5-b]pyridine has a molecular weight of 440.50 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(4-fluorophenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 53186966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).