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

C19H20N6O2S2 — CID 53186982

IUPAC3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine
SMILESCCn1cc(S(=O)(=O)N2CCC(n3c(-c4cccs4)nc4cccnc43)C2)cn1
InChIInChI=1S/C19H20N6O2S2/c1-2-23-13-15(11-21-23)29(26,27)24-9-7-14(12-24)25-18-16(5-3-8-20-18)22-19(25)17-6-4-10-28-17/h3-6,8,10-11,13-14H,2,7,9,12H2,1H3
InChIKeyIIWRHSPCSREYGS-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.01
Rot. Bonds5

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

3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine (PubChem CID 53186982) has the molecular formula C19H20N6O2S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine
PubChem CID53186982
Molecular FormulaC19H20N6O2S2
Molecular Weight428.54 g/mol
Exact Mass428.11
IUPAC Name3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine
SMILESCCn1cc(S(=O)(=O)N2CCC(n3c(-c4cccs4)nc4cccnc43)C2)cn1
InChIInChI=1S/C19H20N6O2S2/c1-2-23-13-15(11-21-23)29(26,27)24-9-7-14(12-24)25-18-16(5-3-8-20-18)22-19(25)17-6-4-10-28-17/h3-6,8,10-11,13-14H,2,7,9,12H2,1H3
InChIKeyIIWRHSPCSREYGS-UHFFFAOYSA-N
XLogP3.01
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine (CID 53186982) is 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine is CCn1cc(S(=O)(=O)N2CCC(n3c(-c4cccs4)nc4cccnc43)C2)cn1.
What is the InChIKey of 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine?
The InChIKey is IIWRHSPCSREYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S2/c1-2-23-13-15(11-21-23)29(26,27)24-9-7-14(12-24)25-18-16(5-3-8-20-18)22-19(25)17-6-4-10-28-17/h3-6,8,10-11,13-14H,2,7,9,12H2,1H3.
What are the key properties of 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine?
3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine has a molecular weight of 428.54 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 53186982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).