1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone

C22H19N3O2 — CID 86728817

IUPAC1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone
SMILESCOc1cccc(NC(C(=O)c2cnc3ccccn23)c2ccccc2)c1
InChIInChI=1S/C22H19N3O2/c1-27-18-11-7-10-17(14-18)24-21(16-8-3-2-4-9-16)22(26)19-15-23-20-12-5-6-13-25(19)20/h2-15,21,24H,1H3
InChIKeyYITRYRWHBXOUQA-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.38
Rot. Bonds6

About 1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone

1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone (PubChem CID 86728817) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone
PubChem CID86728817
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone
SMILESCOc1cccc(NC(C(=O)c2cnc3ccccn23)c2ccccc2)c1
InChIInChI=1S/C22H19N3O2/c1-27-18-11-7-10-17(14-18)24-21(16-8-3-2-4-9-16)22(26)19-15-23-20-12-5-6-13-25(19)20/h2-15,21,24H,1H3
InChIKeyYITRYRWHBXOUQA-UHFFFAOYSA-N
XLogP4.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone
CID 122606975
2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone
CID 86272430
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449
N-(3-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 15945250
1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(3-methoxyphenyl)urea
CID 90570682
1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(3-methoxyphenyl)urea
CID 90569999
2-(3-methoxyanilino)-1-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-phenylethanone;hydrochloride
CID 86728858
2-(3-ethoxyanilino)-2-phenylacetic acid
CID 103245685
1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 53204450
1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
CID 86728829
methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate
CID 60994307
2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone
CID 86728775

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone?
The IUPAC name of 1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone (CID 86728817) is 1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone.
What is the SMILES notation for 1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone?
The canonical SMILES for 1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone is COc1cccc(NC(C(=O)c2cnc3ccccn23)c2ccccc2)c1.
What is the InChIKey of 1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone?
The InChIKey is YITRYRWHBXOUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-27-18-11-7-10-17(14-18)24-21(16-8-3-2-4-9-16)22(26)19-15-23-20-12-5-6-13-25(19)20/h2-15,21,24H,1H3.
What are the key properties of 1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone?
1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone has a molecular weight of 357.41 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone is sourced from PubChem (CID 86728817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).