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

C20H17FN4O3S — CID 87050950

IUPAC3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1
InChIInChI=1S/C20H17FN4O3S/c21-15-3-5-17(6-4-15)29(26,27)24-10-7-16(12-24)25-19(14-8-11-28-13-14)23-18-2-1-9-22-20(18)25/h1-6,8-9,11,13,16H,7,10,12H2
InChIKeyDOGMRMNETWAKRO-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.47
Rot. Bonds4

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

3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 87050950) has the molecular formula C20H17FN4O3S and a molecular weight of 412.45 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine
PubChem CID87050950
Molecular FormulaC20H17FN4O3S
Molecular Weight412.45 g/mol
Exact Mass412.10
IUPAC Name3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1
InChIInChI=1S/C20H17FN4O3S/c21-15-3-5-17(6-4-15)29(26,27)24-10-7-16(12-24)25-19(14-8-11-28-13-14)23-18-2-1-9-22-20(18)25/h1-6,8-9,11,13,16H,7,10,12H2
InChIKeyDOGMRMNETWAKRO-UHFFFAOYSA-N
XLogP3.47
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine (CID 87050950) is 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine is O=S(=O)(c1ccc(F)cc1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1.
What is the InChIKey of 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is DOGMRMNETWAKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S/c21-15-3-5-17(6-4-15)29(26,27)24-10-7-16(12-24)25-19(14-8-11-28-13-14)23-18-2-1-9-22-20(18)25/h1-6,8-9,11,13,16H,7,10,12H2.
What are the key properties of 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine?
3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 412.45 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 87050950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).