2-[2-(3-chloro-4-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylacetamide

C24H28BClFN3O3 — CID 142722676

IUPAC2-[2-(3-chloro-4-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1c(-c2ccc(F)c(Cl)c2)nc2cc(B3OC(C)(C)C(C)(C)O3)ccn12
InChIInChI=1S/C24H28BClFN3O3/c1-14(2)28-21(31)13-19-22(15-7-8-18(27)17(26)11-15)29-20-12-16(9-10-30(19)20)25-32-23(3,4)24(5,6)33-25/h7-12,14H,13H2,1-6H3,(H,28,31)
InChIKeyXXVLSWVYLWVNFM-UHFFFAOYSA-N
MW471.77 g/mol
LogP4.16
Rot. Bonds5

About 2-[2-(3-chloro-4-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylacetamide

2-[2-(3-chloro-4-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylacetamide (PubChem CID 142722676) has the molecular formula C24H28BClFN3O3 and a molecular weight of 471.77 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-chloro-4-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylacetamide
PubChem CID142722676
Molecular FormulaC24H28BClFN3O3
Molecular Weight471.77 g/mol
Exact Mass471.19
IUPAC Name2-[2-(3-chloro-4-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1c(-c2ccc(F)c(Cl)c2)nc2cc(B3OC(C)(C)C(C)(C)O3)ccn12
InChIInChI=1S/C24H28BClFN3O3/c1-14(2)28-21(31)13-19-22(15-7-8-18(27)17(26)11-15)29-20-12-16(9-10-30(19)20)25-32-23(3,4)24(5,6)33-25/h7-12,14H,13H2,1-6H3,(H,28,31)
InChIKeyXXVLSWVYLWVNFM-UHFFFAOYSA-N
XLogP4.16
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.77
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(3-chloro-4-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylacetamide 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 2-[2-(3-chloro-4-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-chloro-4-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylacetamide (CID 142722676) is 2-[2-(3-chloro-4-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-chloro-4-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-chloro-4-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1c(-c2ccc(F)c(Cl)c2)nc2cc(B3OC(C)(C)C(C)(C)O3)ccn12.
What is the InChIKey of 2-[2-(3-chloro-4-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is XXVLSWVYLWVNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BClFN3O3/c1-14(2)28-21(31)13-19-22(15-7-8-18(27)17(26)11-15)29-20-12-16(9-10-30(19)20)25-32-23(3,4)24(5,6)33-25/h7-12,14H,13H2,1-6H3,(H,28,31).
What are the key properties of 2-[2-(3-chloro-4-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylacetamide?
2-[2-(3-chloro-4-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 471.77 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 142722676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).