thiophen-3-yl-[3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone

C19H16N4OS2 — CID 53186882

IUPACthiophen-3-yl-[3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccsc1)N1CCC(n2c(-c3cccs3)nc3cccnc32)C1
InChIInChI=1S/C19H16N4OS2/c24-19(13-6-10-25-12-13)22-8-5-14(11-22)23-17-15(3-1-7-20-17)21-18(23)16-4-2-9-26-16/h1-4,6-7,9-10,12,14H,5,8,11H2
InChIKeyRUMKDDOABYNUFG-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.31
Rot. Bonds3

About thiophen-3-yl-[3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone

thiophen-3-yl-[3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 53186882) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is thiophen-3-yl-[3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namethiophen-3-yl-[3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID53186882
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC Namethiophen-3-yl-[3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccsc1)N1CCC(n2c(-c3cccs3)nc3cccnc32)C1
InChIInChI=1S/C19H16N4OS2/c24-19(13-6-10-25-12-13)22-8-5-14(11-22)23-17-15(3-1-7-20-17)21-18(23)16-4-2-9-26-16/h1-4,6-7,9-10,12,14H,5,8,11H2
InChIKeyRUMKDDOABYNUFG-UHFFFAOYSA-N
XLogP4.31
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of thiophen-3-yl-[3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of thiophen-3-yl-[3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (CID 53186882) is thiophen-3-yl-[3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for thiophen-3-yl-[3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for thiophen-3-yl-[3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is O=C(c1ccsc1)N1CCC(n2c(-c3cccs3)nc3cccnc32)C1.
What is the InChIKey of thiophen-3-yl-[3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is RUMKDDOABYNUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c24-19(13-6-10-25-12-13)22-8-5-14(11-22)23-17-15(3-1-7-20-17)21-18(23)16-4-2-9-26-16/h1-4,6-7,9-10,12,14H,5,8,11H2.
What are the key properties of thiophen-3-yl-[3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
thiophen-3-yl-[3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 380.50 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-yl-[3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 53186882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).