8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid

C23H18N6O3S — CID 59588735

IUPAC8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccsc2)nc2c(-c3nnc(-c4ccc(N5CCCC5)nc4)o3)cccn12
InChIInChI=1S/C23H18N6O3S/c30-23(31)19-18(15-7-11-33-13-15)25-20-16(4-3-10-29(19)20)22-27-26-21(32-22)14-5-6-17(24-12-14)28-8-1-2-9-28/h3-7,10-13H,1-2,8-9H2,(H,30,31)
InChIKeyBMYJSHWFMPONQD-UHFFFAOYSA-N
MW458.50 g/mol
LogP4.47
Rot. Bonds5

About 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid

8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 59588735) has the molecular formula C23H18N6O3S and a molecular weight of 458.50 g/mol. Its IUPAC name is 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID59588735
Molecular FormulaC23H18N6O3S
Molecular Weight458.50 g/mol
Exact Mass458.12
IUPAC Name8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccsc2)nc2c(-c3nnc(-c4ccc(N5CCCC5)nc4)o3)cccn12
InChIInChI=1S/C23H18N6O3S/c30-23(31)19-18(15-7-11-33-13-15)25-20-16(4-3-10-29(19)20)22-27-26-21(32-22)14-5-6-17(24-12-14)28-8-1-2-9-28/h3-7,10-13H,1-2,8-9H2,(H,30,31)
InChIKeyBMYJSHWFMPONQD-UHFFFAOYSA-N
XLogP4.47
TPSA109.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 59588735) is 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1c(-c2ccsc2)nc2c(-c3nnc(-c4ccc(N5CCCC5)nc4)o3)cccn12.
What is the InChIKey of 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is BMYJSHWFMPONQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O3S/c30-23(31)19-18(15-7-11-33-13-15)25-20-16(4-3-10-29(19)20)22-27-26-21(32-22)14-5-6-17(24-12-14)28-8-1-2-9-28/h3-7,10-13H,1-2,8-9H2,(H,30,31).
What are the key properties of 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 458.50 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 59588735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).