3-[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide

C29H31N3O3 — CID 83272319

IUPAC3-[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCc1c(-c2ccc(C)cc2)nc2ccc(-c3ccc(C(C)=O)cc3)cn12
InChIInChI=1S/C29H31N3O3/c1-20-5-7-24(8-6-20)29-26(14-16-28(34)30-17-4-18-35-3)32-19-25(13-15-27(32)31-29)23-11-9-22(10-12-23)21(2)33/h5-13,15,19H,4,14,16-18H2,1-3H3,(H,30,34)
InChIKeyFYVJLUOCKPXIMA-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.26
Rot. Bonds10

About 3-[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide

3-[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 83272319) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 3-[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide
PubChem CID83272319
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name3-[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCc1c(-c2ccc(C)cc2)nc2ccc(-c3ccc(C(C)=O)cc3)cn12
InChIInChI=1S/C29H31N3O3/c1-20-5-7-24(8-6-20)29-26(14-16-28(34)30-17-4-18-35-3)32-19-25(13-15-27(32)31-29)23-11-9-22(10-12-23)21(2)33/h5-13,15,19H,4,14,16-18H2,1-3H3,(H,30,34)
InChIKeyFYVJLUOCKPXIMA-UHFFFAOYSA-N
XLogP5.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide (CID 83272319) is 3-[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CCc1c(-c2ccc(C)cc2)nc2ccc(-c3ccc(C(C)=O)cc3)cn12.
What is the InChIKey of 3-[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is FYVJLUOCKPXIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-20-5-7-24(8-6-20)29-26(14-16-28(34)30-17-4-18-35-3)32-19-25(13-15-27(32)31-29)23-11-9-22(10-12-23)21(2)33/h5-13,15,19H,4,14,16-18H2,1-3H3,(H,30,34).
What are the key properties of 3-[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide?
3-[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 469.59 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 83272319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).