2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid

C19H12BrN3O3S — CID 58191558

IUPAC2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cn2ccccc2n1
InChIInChI=1S/C19H12BrN3O3S/c20-12-6-4-11(5-7-12)17-16(19(25)26)14(10-27-17)22-18(24)13-9-23-8-2-1-3-15(23)21-13/h1-10H,(H,22,24)(H,25,26)
InChIKeyKVHRVBYVZWEFSU-UHFFFAOYSA-N
MW442.29 g/mol
LogP4.78
Rot. Bonds4

About 2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid

2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 58191558) has the molecular formula C19H12BrN3O3S and a molecular weight of 442.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid
PubChem CID58191558
Molecular FormulaC19H12BrN3O3S
Molecular Weight442.29 g/mol
Exact Mass440.98
IUPAC Name2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cn2ccccc2n1
InChIInChI=1S/C19H12BrN3O3S/c20-12-6-4-11(5-7-12)17-16(19(25)26)14(10-27-17)22-18(24)13-9-23-8-2-1-3-15(23)21-13/h1-10H,(H,22,24)(H,25,26)
InChIKeyKVHRVBYVZWEFSU-UHFFFAOYSA-N
XLogP4.78
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.29
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid (CID 58191558) is 2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid is O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cn2ccccc2n1.
What is the InChIKey of 2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid?
The InChIKey is KVHRVBYVZWEFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O3S/c20-12-6-4-11(5-7-12)17-16(19(25)26)14(10-27-17)22-18(24)13-9-23-8-2-1-3-15(23)21-13/h1-10H,(H,22,24)(H,25,26).
What are the key properties of 2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid?
2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 442.29 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 58191558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).