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

C29H30BrCl2N7O3 — CID 18923351

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

N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]amino]acetamide (PubChem CID 18923351) has the molecular formula C29H30BrCl2N7O3 and a molecular weight of 675.42 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-[[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]amino]acetamide
• PubChem CID: 18923351
• Molecular Formula: C29H30BrCl2N7O3
• Molecular Weight: 675.42 g/mol
• Exact Mass: 673.10
• IUPAC Name: N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]amino]acetamide
• SMILES: Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)CN4CCN(c5ccncc5)CC4)c3Cl)cccn2c1Br
• InChI: InChI=1S/C29H30BrCl2N7O3/c1-19-28(30)39-11-3-4-24(29(39)35-19)42-18-21-22(31)5-6-23(27(21)32)36(2)26(41)16-34-25(40)17-37-12-14-38(15-13-37)20-7-9-33-10-8-20/h3-11H,12-18H2,1-2H3,(H,34,40)
• InChIKey: NVEJOTFNYQTPMC-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 95.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	675.42
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-[[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]amino]acetamide?

The IUPAC name of N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]amino]acetamide (CID 18923351) is N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]amino]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-[[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]amino]acetamide?

The canonical SMILES for N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]amino]acetamide is Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)CN4CCN(c5ccncc5)CC4)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-[[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]amino]acetamide?

The InChIKey is NVEJOTFNYQTPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30BrCl2N7O3/c1-19-28(30)39-11-3-4-24(29(39)35-19)42-18-21-22(31)5-6-23(27(21)32)36(2)26(41)16-34-25(40)17-37-12-14-38(15-13-37)20-7-9-33-10-8-20/h3-11H,12-18H2,1-2H3,(H,34,40).

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-[[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]amino]acetamide?

N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]amino]acetamide has a molecular weight of 675.42 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 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-[[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 18923351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).