4-imidazo[1,2-a]pyridin-6-yl-2-methylbut-3-yn-2-ol

C12H12N2O — CID 139261033

IUPAC4-imidazo[1,2-a]pyridin-6-yl-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1ccc2nccn2c1
InChIInChI=1S/C12H12N2O/c1-12(2,15)6-5-10-3-4-11-13-7-8-14(11)9-10/h3-4,7-9,15H,1-2H3
InChIKeyOPNVDWLYCRXTKZ-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.46
Rot. Bonds

About 4-imidazo[1,2-a]pyridin-6-yl-2-methylbut-3-yn-2-ol

4-imidazo[1,2-a]pyridin-6-yl-2-methylbut-3-yn-2-ol (PubChem CID 139261033) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-imidazo[1,2-a]pyridin-6-yl-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-imidazo[1,2-a]pyridin-6-yl-2-methylbut-3-yn-2-ol
PubChem CID139261033
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-imidazo[1,2-a]pyridin-6-yl-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1ccc2nccn2c1
InChIInChI=1S/C12H12N2O/c1-12(2,15)6-5-10-3-4-11-13-7-8-14(11)9-10/h3-4,7-9,15H,1-2H3
InChIKeyOPNVDWLYCRXTKZ-UHFFFAOYSA-N
XLogP1.46
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(5-methylimidazo[1,2-a]pyridin-6-yl)but-3-yn-2-ol
CID 141279218
1-fluoro-1-imidazo[1,2-a]pyridin-6-ylethanol
CID 152710550
4-imidazo[1,2-b]pyridazin-6-yl-2-methylbut-3-yn-2-ol
CID 122243000
6-(2-methylbutan-2-yl)imidazo[1,2-a]pyridine
CID 134492239
4-(4-tert-butylphenyl)-2-methylbut-3-yn-2-ol
CID 112554226
4-(4-chlorophenyl)-2-methylbut-3-yn-2-ol
CID 11735713
tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate
CID 137368600
2,2-dimethylpropanamide;6-ethylimidazo[1,2-a]pyridine
CID 157046695
ethane;6-propan-2-ylimidazo[1,2-a]pyridine
CID 145229849
ethane;6-ethylimidazo[1,2-a]pyridine
CID 142917283
imidazo[1,2-a]pyridin-6-ylmethanol;hydrochloride
CID 71748611
4-(3-hydroxy-3-methylbut-1-ynyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 18758689

Frequently Asked Questions

What is the IUPAC name of 4-imidazo[1,2-a]pyridin-6-yl-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-imidazo[1,2-a]pyridin-6-yl-2-methylbut-3-yn-2-ol (CID 139261033) is 4-imidazo[1,2-a]pyridin-6-yl-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-imidazo[1,2-a]pyridin-6-yl-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-imidazo[1,2-a]pyridin-6-yl-2-methylbut-3-yn-2-ol is CC(C)(O)C#Cc1ccc2nccn2c1.
What is the InChIKey of 4-imidazo[1,2-a]pyridin-6-yl-2-methylbut-3-yn-2-ol?
The InChIKey is OPNVDWLYCRXTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-12(2,15)6-5-10-3-4-11-13-7-8-14(11)9-10/h3-4,7-9,15H,1-2H3.
What are the key properties of 4-imidazo[1,2-a]pyridin-6-yl-2-methylbut-3-yn-2-ol?
4-imidazo[1,2-a]pyridin-6-yl-2-methylbut-3-yn-2-ol has a molecular weight of 200.24 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[1,2-a]pyridin-6-yl-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 139261033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).