[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate

C23H29N3O2 — CID 45488542

IUPAC[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C23H29N3O2/c1-16(27)28-18-12-8-7-11-17(18)20-21(25-23(5,6)15-22(2,3)4)26-14-10-9-13-19(26)24-20/h7-14,25H,15H2,1-6H3
InChIKeyRXAJEOFWCFZFDC-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.55
Rot. Bonds5

About [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate

[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate (PubChem CID 45488542) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate.

Molecular Properties

Compound Name[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate
PubChem CID45488542
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C23H29N3O2/c1-16(27)28-18-12-8-7-11-17(18)20-21(25-23(5,6)15-22(2,3)4)26-14-10-9-13-19(26)24-20/h7-14,25H,15H2,1-6H3
InChIKeyRXAJEOFWCFZFDC-UHFFFAOYSA-N
XLogP5.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate 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-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate?
The IUPAC name of [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate (CID 45488542) is [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate.
What is the SMILES notation for [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate?
The canonical SMILES for [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate is CC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C.
What is the InChIKey of [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate?
The InChIKey is RXAJEOFWCFZFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16(27)28-18-12-8-7-11-17(18)20-21(25-23(5,6)15-22(2,3)4)26-14-10-9-13-19(26)24-20/h7-14,25H,15H2,1-6H3.
What are the key properties of [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate?
[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate has a molecular weight of 379.50 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate is sourced from PubChem (CID 45488542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).