3-(5-imidazo[1,2-a]pyridin-2-yl-2-methylanilino)propane-1,2-diol

C17H19N3O2 — CID 168595719

IUPAC3-(5-imidazo[1,2-a]pyridin-2-yl-2-methylanilino)propane-1,2-diol
SMILESCc1ccc(-c2cn3ccccc3n2)cc1NCC(O)CO
InChIInChI=1S/C17H19N3O2/c1-12-5-6-13(8-15(12)18-9-14(22)11-21)16-10-20-7-3-2-4-17(20)19-16/h2-8,10,14,18,21-22H,9,11H2,1H3
InChIKeyUPGPLFOERTTWTA-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.07
Rot. Bonds5

About 3-(5-imidazo[1,2-a]pyridin-2-yl-2-methylanilino)propane-1,2-diol

3-(5-imidazo[1,2-a]pyridin-2-yl-2-methylanilino)propane-1,2-diol (PubChem CID 168595719) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(5-imidazo[1,2-a]pyridin-2-yl-2-methylanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(5-imidazo[1,2-a]pyridin-2-yl-2-methylanilino)propane-1,2-diol
PubChem CID168595719
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-(5-imidazo[1,2-a]pyridin-2-yl-2-methylanilino)propane-1,2-diol
SMILESCc1ccc(-c2cn3ccccc3n2)cc1NCC(O)CO
InChIInChI=1S/C17H19N3O2/c1-12-5-6-13(8-15(12)18-9-14(22)11-21)16-10-20-7-3-2-4-17(20)19-16/h2-8,10,14,18,21-22H,9,11H2,1H3
InChIKeyUPGPLFOERTTWTA-UHFFFAOYSA-N
XLogP2.07
TPSA69.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)butanamide
CID 121055624
(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea
CID 169358367
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 735320
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)ethanesulfonamide
CID 23608319
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine;hydrobromide
CID 19234119
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine;hydroiodide
CID 45134937
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-3,4-dimethylbenzamide
CID 121055609
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxyacetamide
CID 121055747
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-3-methylbenzamide
CID 121055646
2-cyclopentyl-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)acetamide
CID 122283543
2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide
CID 122283600
3-cyclopentyl-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)propanamide
CID 121055615

Frequently Asked Questions

What is the IUPAC name of 3-(5-imidazo[1,2-a]pyridin-2-yl-2-methylanilino)propane-1,2-diol?
The IUPAC name of 3-(5-imidazo[1,2-a]pyridin-2-yl-2-methylanilino)propane-1,2-diol (CID 168595719) is 3-(5-imidazo[1,2-a]pyridin-2-yl-2-methylanilino)propane-1,2-diol.
What is the SMILES notation for 3-(5-imidazo[1,2-a]pyridin-2-yl-2-methylanilino)propane-1,2-diol?
The canonical SMILES for 3-(5-imidazo[1,2-a]pyridin-2-yl-2-methylanilino)propane-1,2-diol is Cc1ccc(-c2cn3ccccc3n2)cc1NCC(O)CO.
What is the InChIKey of 3-(5-imidazo[1,2-a]pyridin-2-yl-2-methylanilino)propane-1,2-diol?
The InChIKey is UPGPLFOERTTWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-5-6-13(8-15(12)18-9-14(22)11-21)16-10-20-7-3-2-4-17(20)19-16/h2-8,10,14,18,21-22H,9,11H2,1H3.
What are the key properties of 3-(5-imidazo[1,2-a]pyridin-2-yl-2-methylanilino)propane-1,2-diol?
3-(5-imidazo[1,2-a]pyridin-2-yl-2-methylanilino)propane-1,2-diol has a molecular weight of 297.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-imidazo[1,2-a]pyridin-2-yl-2-methylanilino)propane-1,2-diol is sourced from PubChem (CID 168595719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).