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

C25H22BrCl2N5O3 — CID 54301858

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

N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2-pyridin-3-ylacetamide (PubChem CID 54301858) has the molecular formula C25H22BrCl2N5O3 and a molecular weight of 591.29 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-pyridin-3-ylacetamide.

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-pyridin-3-ylacetamide
• PubChem CID: 54301858
• Molecular Formula: C25H22BrCl2N5O3
• Molecular Weight: 591.29 g/mol
• Exact Mass: 589.03
• IUPAC Name: N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2-pyridin-3-ylacetamide
• SMILES: Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Cc4cccnc4)c3Cl)cccn2c1Br
• InChI: InChI=1S/C25H22BrCl2N5O3/c1-15-24(26)33-10-4-6-20(25(33)31-15)36-14-17-18(27)7-8-19(23(17)28)32(2)22(35)13-30-21(34)11-16-5-3-9-29-12-16/h3-10,12H,11,13-14H2,1-2H3,(H,30,34)
• InChIKey: SETVTIRGHGPCRG-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.29
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-pyridin-3-ylacetamide?

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-pyridin-3-ylacetamide (CID 54301858) is N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2-pyridin-3-ylacetamide.

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-pyridin-3-ylacetamide?

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-pyridin-3-ylacetamide is Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Cc4cccnc4)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-pyridin-3-ylacetamide?

The InChIKey is SETVTIRGHGPCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrCl2N5O3/c1-15-24(26)33-10-4-6-20(25(33)31-15)36-14-17-18(27)7-8-19(23(17)28)32(2)22(35)13-30-21(34)11-16-5-3-9-29-12-16/h3-10,12H,11,13-14H2,1-2H3,(H,30,34).

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-pyridin-3-ylacetamide?

N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2-pyridin-3-ylacetamide has a molecular weight of 591.29 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-pyridin-3-ylacetamide is sourced from PubChem (CID 54301858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).