N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide

C19H13N3O3S — CID 5098694

IUPACN-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H13N3O3S/c23-19(12-6-7-13-14(10-12)25-11-24-13)21-18-17(15-4-3-9-26-15)20-16-5-1-2-8-22(16)18/h1-10H,11H2,(H,21,23)
InChIKeyUBKDZASTTYJNJQ-UHFFFAOYSA-N
MW363.40 g/mol
LogP4.04
Rot. Bonds3

About N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide

N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 5098694) has the molecular formula C19H13N3O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID5098694
Molecular FormulaC19H13N3O3S
Molecular Weight363.40 g/mol
Exact Mass363.07
IUPAC NameN-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H13N3O3S/c23-19(12-6-7-13-14(10-12)25-11-24-13)21-18-17(15-4-3-9-26-15)20-16-5-1-2-8-22(16)18/h1-10H,11H2,(H,21,23)
InChIKeyUBKDZASTTYJNJQ-UHFFFAOYSA-N
XLogP4.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide (CID 5098694) is N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is UBKDZASTTYJNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c23-19(12-6-7-13-14(10-12)25-11-24-13)21-18-17(15-4-3-9-26-15)20-16-5-1-2-8-22(16)18/h1-10H,11H2,(H,21,23).
What are the key properties of N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide?
N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 5098694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).