N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide

C21H21BrCl2N4O3 — CID 10649831

About N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide

N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide (PubChem CID 10649831) has the molecular formula C21H21BrCl2N4O3 and a molecular weight of 528.23 g/mol. Its IUPAC name is N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide.

Molecular Properties

• Compound Name: N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide
• PubChem CID: 10649831
• Molecular Formula: C21H21BrCl2N4O3
• Molecular Weight: 528.23 g/mol
• Exact Mass: 526.02
• IUPAC Name: N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide
• SMILES: CCC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl
• InChI: InChI=1S/C21H21BrCl2N4O3/c1-4-17(29)25-10-18(30)27(3)15-8-7-14(23)13(19(15)24)11-31-16-6-5-9-28-20(22)12(2)26-21(16)28/h5-9H,4,10-11H2,1-3H3,(H,25,29)
• InChIKey: RWYJAGSBBFGNRQ-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.23
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide?

The IUPAC name of N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide (CID 10649831) is N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide.

What is the SMILES notation for N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide?

The canonical SMILES for N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide is CCC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl.

What is the InChIKey of N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide?

The InChIKey is RWYJAGSBBFGNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrCl2N4O3/c1-4-17(29)25-10-18(30)27(3)15-8-7-14(23)13(19(15)24)11-31-16-6-5-9-28-20(22)12(2)26-21(16)28/h5-9H,4,10-11H2,1-3H3,(H,25,29).

What are the key properties of N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide?

N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide has a molecular weight of 528.23 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide is sourced from PubChem (CID 10649831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).