N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide

C20H15N3O3S — CID 3351751

IUPACN-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESCc1ccn2c(NC(=O)c3ccc4c(c3)OCO4)c(-c3cccs3)nc2c1
InChIInChI=1S/C20H15N3O3S/c1-12-6-7-23-17(9-12)21-18(16-3-2-8-27-16)19(23)22-20(24)13-4-5-14-15(10-13)26-11-25-14/h2-10H,11H2,1H3,(H,22,24)
InChIKeyQIXVGDJNXCHJPB-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.35
Rot. Bonds3

About N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide

N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 3351751) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID3351751
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC NameN-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESCc1ccn2c(NC(=O)c3ccc4c(c3)OCO4)c(-c3cccs3)nc2c1
InChIInChI=1S/C20H15N3O3S/c1-12-6-7-23-17(9-12)21-18(16-3-2-8-27-16)19(23)22-20(24)13-4-5-14-15(10-13)26-11-25-14/h2-10H,11H2,1H3,(H,22,24)
InChIKeyQIXVGDJNXCHJPB-UHFFFAOYSA-N
XLogP4.35
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide (CID 3351751) is N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide is Cc1ccn2c(NC(=O)c3ccc4c(c3)OCO4)c(-c3cccs3)nc2c1.
What is the InChIKey of N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is QIXVGDJNXCHJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-12-6-7-23-17(9-12)21-18(16-3-2-8-27-16)19(23)22-20(24)13-4-5-14-15(10-13)26-11-25-14/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide?
N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 3351751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).