8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid

C22H16N6O3S — CID 25094957

IUPAC8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESNc1nc2ccc(CNC(=O)c3cccn4c(C(=O)O)c(-c5ccncc5)nc34)cc2s1
InChIInChI=1S/C22H16N6O3S/c23-22-26-15-4-3-12(10-16(15)32-22)11-25-20(29)14-2-1-9-28-18(21(30)31)17(27-19(14)28)13-5-7-24-8-6-13/h1-10H,11H2,(H2,23,26)(H,25,29)(H,30,31)
InChIKeyKYPSZHISJSZYLK-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.22
Rot. Bonds5

About 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid

8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 25094957) has the molecular formula C22H16N6O3S and a molecular weight of 444.48 g/mol. Its IUPAC name is 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID25094957
Molecular FormulaC22H16N6O3S
Molecular Weight444.48 g/mol
Exact Mass444.10
IUPAC Name8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESNc1nc2ccc(CNC(=O)c3cccn4c(C(=O)O)c(-c5ccncc5)nc34)cc2s1
InChIInChI=1S/C22H16N6O3S/c23-22-26-15-4-3-12(10-16(15)32-22)11-25-20(29)14-2-1-9-28-18(21(30)31)17(27-19(14)28)13-5-7-24-8-6-13/h1-10H,11H2,(H2,23,26)(H,25,29)(H,30,31)
InChIKeyKYPSZHISJSZYLK-UHFFFAOYSA-N
XLogP3.22
TPSA135.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 25094957) is 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid is Nc1nc2ccc(CNC(=O)c3cccn4c(C(=O)O)c(-c5ccncc5)nc34)cc2s1.
What is the InChIKey of 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is KYPSZHISJSZYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O3S/c23-22-26-15-4-3-12(10-16(15)32-22)11-25-20(29)14-2-1-9-28-18(21(30)31)17(27-19(14)28)13-5-7-24-8-6-13/h1-10H,11H2,(H2,23,26)(H,25,29)(H,30,31).
What are the key properties of 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 444.48 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 25094957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).