N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)acetamide

C29H24BrCl2N5O3 — CID 18923312

About N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)acetamide

N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)acetamide (PubChem CID 18923312) has the molecular formula C29H24BrCl2N5O3 and a molecular weight of 641.35 g/mol. Its IUPAC name is N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)acetamide.

Molecular Properties

• Compound Name: N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)acetamide
• PubChem CID: 18923312
• Molecular Formula: C29H24BrCl2N5O3
• Molecular Weight: 641.35 g/mol
• Exact Mass: 639.04
• IUPAC Name: N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)acetamide
• SMILES: Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc5ccccc45)c3Cl)cccn2c1Br
• InChI: InChI=1S/C29H24BrCl2N5O3/c1-17-27(30)37-14-6-11-24(28(37)34-17)40-16-20-21(31)12-13-23(26(20)32)36(2)25(38)15-33-29(39)35-22-10-5-8-18-7-3-4-9-19(18)22/h3-14H,15-16H2,1-2H3,(H2,33,35,39)
• InChIKey: WFPRNXKWJUVREJ-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.35
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)acetamide?

The IUPAC name of N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)acetamide (CID 18923312) is N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)acetamide.

What is the SMILES notation for N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)acetamide?

The canonical SMILES for N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)acetamide is Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc5ccccc45)c3Cl)cccn2c1Br.

What is the InChIKey of N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)acetamide?

The InChIKey is WFPRNXKWJUVREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24BrCl2N5O3/c1-17-27(30)37-14-6-11-24(28(37)34-17)40-16-20-21(31)12-13-23(26(20)32)36(2)25(38)15-33-29(39)35-22-10-5-8-18-7-3-4-9-19(18)22/h3-14H,15-16H2,1-2H3,(H2,33,35,39).

What are the key properties of N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)acetamide?

N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)acetamide has a molecular weight of 641.35 g/mol, XLogP of 7.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)acetamide is sourced from PubChem (CID 18923312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).