7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-[2-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide

C21H21N5O2S — CID 177042719

About 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-[2-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide

7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-[2-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 177042719) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-[2-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-[2-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide
• PubChem CID: 177042719
• Molecular Formula: C21H21N5O2S
• Molecular Weight: 407.50 g/mol
• Exact Mass: 407.14
• IUPAC Name: 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-[2-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide
• SMILES: Cc1ccc(O)c(C)c1-c1cn2cc(CCc3nccs3)nc2c(C(N)=O)c1N
• InChI: InChI=1S/C21H21N5O2S/c1-11-3-5-15(27)12(2)17(11)14-10-26-9-13(4-6-16-24-7-8-29-16)25-21(26)18(19(14)22)20(23)28/h3,5,7-10,27H,4,6,22H2,1-2H3,(H2,23,28)
• InChIKey: BFZBPLDGHQSKIC-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 119.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.50
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-[2-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide?

The IUPAC name of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-[2-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide (CID 177042719) is 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-[2-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide.

What is the SMILES notation for 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-[2-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide?

The canonical SMILES for 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-[2-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide is Cc1ccc(O)c(C)c1-c1cn2cc(CCc3nccs3)nc2c(C(N)=O)c1N.

What is the InChIKey of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-[2-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide?

The InChIKey is BFZBPLDGHQSKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-11-3-5-15(27)12(2)17(11)14-10-26-9-13(4-6-16-24-7-8-29-16)25-21(26)18(19(14)22)20(23)28/h3,5,7-10,27H,4,6,22H2,1-2H3,(H2,23,28).

What are the key properties of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-[2-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide?

7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-[2-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-[2-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 177042719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).