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

C23H25BrCl2N4O3 — CID 67625015

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

N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 67625015) has the molecular formula C23H25BrCl2N4O3 and a molecular weight of 556.29 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]-2,2-dimethylpropanamide.

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]-2,2-dimethylpropanamide
• PubChem CID: 67625015
• Molecular Formula: C23H25BrCl2N4O3
• Molecular Weight: 556.29 g/mol
• Exact Mass: 554.05
• IUPAC Name: N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2,2-dimethylpropanamide
• SMILES: Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)C(C)(C)C)c3Cl)cccn2c1Br
• InChI: InChI=1S/C23H25BrCl2N4O3/c1-13-20(24)30-10-6-7-17(21(30)28-13)33-12-14-15(25)8-9-16(19(14)26)29(5)18(31)11-27-22(32)23(2,3)4/h6-10H,11-12H2,1-5H3,(H,27,32)
• InChIKey: BXMHPOLIAIFDHE-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.29
LogP ≤ 5	5.42
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]-2,2-dimethylpropanamide?

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]-2,2-dimethylpropanamide (CID 67625015) is N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2,2-dimethylpropanamide.

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]-2,2-dimethylpropanamide?

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]-2,2-dimethylpropanamide is Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)C(C)(C)C)c3Cl)cccn2c1Br.

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]-2,2-dimethylpropanamide?

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

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]-2,2-dimethylpropanamide?

N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 556.29 g/mol, XLogP of 5.42, 6 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 67625015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).