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

C23H26BrCl3N4O3 — CID 18923559

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

N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]pentanamide;hydrochloride (PubChem CID 18923559) has the molecular formula C23H26BrCl3N4O3 and a molecular weight of 592.75 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]pentanamide;hydrochloride.

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]pentanamide;hydrochloride
• PubChem CID: 18923559
• Molecular Formula: C23H26BrCl3N4O3
• Molecular Weight: 592.75 g/mol
• Exact Mass: 590.03
• IUPAC Name: N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]pentanamide;hydrochloride
• SMILES: CCCCC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl.Cl
• InChI: InChI=1S/C23H25BrCl2N4O3.ClH/c1-4-5-8-19(31)27-12-20(32)29(3)17-10-9-16(25)15(21(17)26)13-33-18-7-6-11-30-22(24)14(2)28-23(18)30;/h6-7,9-11H,4-5,8,12-13H2,1-3H3,(H,27,31);1H
• InChIKey: HIXXLSPXBXVOJY-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.75
LogP ≤ 5	5.98
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]pentanamide;hydrochloride?

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]pentanamide;hydrochloride (CID 18923559) is N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]pentanamide;hydrochloride.

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]pentanamide;hydrochloride?

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]pentanamide;hydrochloride is CCCCC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl.Cl.

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]pentanamide;hydrochloride?

The InChIKey is HIXXLSPXBXVOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrCl2N4O3.ClH/c1-4-5-8-19(31)27-12-20(32)29(3)17-10-9-16(25)15(21(17)26)13-33-18-7-6-11-30-22(24)14(2)28-23(18)30;/h6-7,9-11H,4-5,8,12-13H2,1-3H3,(H,27,31);1H.

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]pentanamide;hydrochloride?

N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]pentanamide;hydrochloride has a molecular weight of 592.75 g/mol, XLogP of 5.98, 9 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]pentanamide;hydrochloride is sourced from PubChem (CID 18923559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).