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

C18H16N4O3S2 — CID 53186970

IUPAC2-(furan-3-yl)-3-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1cccs1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1
InChIInChI=1S/C18H16N4O3S2/c23-27(24,16-4-2-10-26-16)21-8-5-14(11-21)22-17(13-6-9-25-12-13)20-15-3-1-7-19-18(15)22/h1-4,6-7,9-10,12,14H,5,8,11H2
InChIKeyFFLOFUYUIPSTGC-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.39
Rot. Bonds4

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

2-(furan-3-yl)-3-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine (PubChem CID 53186970) has the molecular formula C18H16N4O3S2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-(furan-3-yl)-3-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(furan-3-yl)-3-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
PubChem CID53186970
Molecular FormulaC18H16N4O3S2
Molecular Weight400.49 g/mol
Exact Mass400.07
IUPAC Name2-(furan-3-yl)-3-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1cccs1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1
InChIInChI=1S/C18H16N4O3S2/c23-27(24,16-4-2-10-26-16)21-8-5-14(11-21)22-17(13-6-9-25-12-13)20-15-3-1-7-19-18(15)22/h1-4,6-7,9-10,12,14H,5,8,11H2
InChIKeyFFLOFUYUIPSTGC-UHFFFAOYSA-N
XLogP3.39
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-3-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(furan-3-yl)-3-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine (CID 53186970) is 2-(furan-3-yl)-3-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(furan-3-yl)-3-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(furan-3-yl)-3-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine is O=S(=O)(c1cccs1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1.
What is the InChIKey of 2-(furan-3-yl)-3-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is FFLOFUYUIPSTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S2/c23-27(24,16-4-2-10-26-16)21-8-5-14(11-21)22-17(13-6-9-25-12-13)20-15-3-1-7-19-18(15)22/h1-4,6-7,9-10,12,14H,5,8,11H2.
What are the key properties of 2-(furan-3-yl)-3-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
2-(furan-3-yl)-3-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 400.49 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-3-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 53186970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).