1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone

C21H31BrN2O2Si — CID 165132661

IUPAC1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone
SMILESCC(C)[Si](OCC(=O)c1cn2cc(C3CC3)cc(Br)c2n1)(C(C)C)C(C)C
InChIInChI=1S/C21H31BrN2O2Si/c1-13(2)27(14(3)4,15(5)6)26-12-20(25)19-11-24-10-17(16-7-8-16)9-18(22)21(24)23-19/h9-11,13-16H,7-8,12H2,1-6H3
InChIKeyAAVZZEBQSDTOGE-UHFFFAOYSA-N
MW451.48 g/mol
LogP6.35
Rot. Bonds8

About 1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone

1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone (PubChem CID 165132661) has the molecular formula C21H31BrN2O2Si and a molecular weight of 451.48 g/mol. Its IUPAC name is 1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone.

Molecular Properties

Compound Name1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone
PubChem CID165132661
Molecular FormulaC21H31BrN2O2Si
Molecular Weight451.48 g/mol
Exact Mass450.13
IUPAC Name1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone
SMILESCC(C)[Si](OCC(=O)c1cn2cc(C3CC3)cc(Br)c2n1)(C(C)C)C(C)C
InChIInChI=1S/C21H31BrN2O2Si/c1-13(2)27(14(3)4,15(5)6)26-12-20(25)19-11-24-10-17(16-7-8-16)9-18(22)21(24)23-19/h9-11,13-16H,7-8,12H2,1-6H3
InChIKeyAAVZZEBQSDTOGE-UHFFFAOYSA-N
XLogP6.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.48
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone?
The IUPAC name of 1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone (CID 165132661) is 1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone.
What is the SMILES notation for 1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone?
The canonical SMILES for 1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone is CC(C)[Si](OCC(=O)c1cn2cc(C3CC3)cc(Br)c2n1)(C(C)C)C(C)C.
What is the InChIKey of 1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone?
The InChIKey is AAVZZEBQSDTOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31BrN2O2Si/c1-13(2)27(14(3)4,15(5)6)26-12-20(25)19-11-24-10-17(16-7-8-16)9-18(22)21(24)23-19/h9-11,13-16H,7-8,12H2,1-6H3.
What are the key properties of 1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone?
1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone has a molecular weight of 451.48 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2-tri(propan-2-yl)silyloxyethanone is sourced from PubChem (CID 165132661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).