N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(2-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide

C33H33N3O3 — CID 83289437

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(2-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(2-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide (PubChem CID 83289437) has the molecular formula C33H33N3O3 and a molecular weight of 519.65 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(2-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(2-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide
• PubChem CID: 83289437
• Molecular Formula: C33H33N3O3
• Molecular Weight: 519.65 g/mol
• Exact Mass: 519.25
• IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(2-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide
• SMILES: COc1ccc(CCNC(=O)CCc2c(-c3ccccc3)nc3ccc(-c4ccccc4C)cn23)cc1OC
• InChI: InChI=1S/C33H33N3O3/c1-23-9-7-8-12-27(23)26-14-17-31-35-33(25-10-5-4-6-11-25)28(36(31)22-26)15-18-32(37)34-20-19-24-13-16-29(38-2)30(21-24)39-3/h4-14,16-17,21-22H,15,18-20H2,1-3H3,(H,34,37)
• InChIKey: TXGCESPIQFBWOF-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 64.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.65
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(2-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide?

The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(2-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide (CID 83289437) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(2-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide.

What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(2-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide?

The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(2-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide is COc1ccc(CCNC(=O)CCc2c(-c3ccccc3)nc3ccc(-c4ccccc4C)cn23)cc1OC.

What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(2-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide?

The InChIKey is TXGCESPIQFBWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O3/c1-23-9-7-8-12-27(23)26-14-17-31-35-33(25-10-5-4-6-11-25)28(36(31)22-26)15-18-32(37)34-20-19-24-13-16-29(38-2)30(21-24)39-3/h4-14,16-17,21-22H,15,18-20H2,1-3H3,(H,34,37).

What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(2-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide?

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(2-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide has a molecular weight of 519.65 g/mol, XLogP of 6.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(2-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide is sourced from PubChem (CID 83289437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).