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

C26H24BrCl3N4O3 — CID 45261914

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

N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2-phenylacetamide;hydrochloride (PubChem CID 45261914) has the molecular formula C26H24BrCl3N4O3 and a molecular weight of 626.77 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]-2-phenylacetamide;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]-2-phenylacetamide;hydrochloride
• PubChem CID: 45261914
• Molecular Formula: C26H24BrCl3N4O3
• Molecular Weight: 626.77 g/mol
• Exact Mass: 624.01
• IUPAC Name: N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
• SMILES: Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Cc4ccccc4)c3Cl)cccn2c1Br.Cl
• InChI: InChI=1S/C26H23BrCl2N4O3.ClH/c1-16-25(27)33-12-6-9-21(26(33)31-16)36-15-18-19(28)10-11-20(24(18)29)32(2)23(35)14-30-22(34)13-17-7-4-3-5-8-17;/h3-12H,13-15H2,1-2H3,(H,30,34);1H
• InChIKey: CVPBGXOJMZEITH-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.77
LogP ≤ 5	6.03
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]-2-phenylacetamide;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]-2-phenylacetamide;hydrochloride (CID 45261914) is N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2-phenylacetamide;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]-2-phenylacetamide;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]-2-phenylacetamide;hydrochloride is Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Cc4ccccc4)c3Cl)cccn2c1Br.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]-2-phenylacetamide;hydrochloride?

The InChIKey is CVPBGXOJMZEITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrCl2N4O3.ClH/c1-16-25(27)33-12-6-9-21(26(33)31-16)36-15-18-19(28)10-11-20(24(18)29)32(2)23(35)14-30-22(34)13-17-7-4-3-5-8-17;/h3-12H,13-15H2,1-2H3,(H,30,34);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]-2-phenylacetamide;hydrochloride?

N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2-phenylacetamide;hydrochloride has a molecular weight of 626.77 g/mol, XLogP of 6.03, 8 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]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 45261914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).