N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide

C32H29N3O4 — CID 83277079

About N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide (PubChem CID 83277079) has the molecular formula C32H29N3O4 and a molecular weight of 519.60 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
• PubChem CID: 83277079
• Molecular Formula: C32H29N3O4
• Molecular Weight: 519.60 g/mol
• Exact Mass: 519.22
• IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
• SMILES: COc1cccc(-c2nc3ccc(-c4cccc(C)c4)cn3c2CCC(=O)NCc2ccc3c(c2)OCO3)c1
• InChI: InChI=1S/C32H29N3O4/c1-21-5-3-6-23(15-21)25-10-13-30-34-32(24-7-4-8-26(17-24)37-2)27(35(30)19-25)11-14-31(36)33-18-22-9-12-28-29(16-22)39-20-38-28/h3-10,12-13,15-17,19H,11,14,18,20H2,1-2H3,(H,33,36)
• InChIKey: VNYFYBCSURFKSA-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 74.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.60
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?

The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide (CID 83277079) is N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?

The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide is COc1cccc(-c2nc3ccc(-c4cccc(C)c4)cn3c2CCC(=O)NCc2ccc3c(c2)OCO3)c1.

What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?

The InChIKey is VNYFYBCSURFKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O4/c1-21-5-3-6-23(15-21)25-10-13-30-34-32(24-7-4-8-26(17-24)37-2)27(35(30)19-25)11-14-31(36)33-18-22-9-12-28-29(16-22)39-20-38-28/h3-10,12-13,15-17,19H,11,14,18,20H2,1-2H3,(H,33,36).

What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?

N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide has a molecular weight of 519.60 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide is sourced from PubChem (CID 83277079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).