azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone

C21H31N5O — CID 56877917

About azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone

azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 56877917) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

• Compound Name: azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
• PubChem CID: 56877917
• Molecular Formula: C21H31N5O
• Molecular Weight: 369.51 g/mol
• Exact Mass: 369.25
• IUPAC Name: azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
• SMILES: Cc1ccn2c(CN3CCN(C)CC3)c(C(=O)N3CCCCCC3)nc2c1
• InChI: InChI=1S/C21H31N5O/c1-17-7-10-26-18(16-24-13-11-23(2)12-14-24)20(22-19(26)15-17)21(27)25-8-5-3-4-6-9-25/h7,10,15H,3-6,8-9,11-14,16H2,1-2H3
• InChIKey: LPHXCZVLFPVJQQ-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 44.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.51
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?

The IUPAC name of azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone (CID 56877917) is azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone.

What is the SMILES notation for azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?

The canonical SMILES for azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone is Cc1ccn2c(CN3CCN(C)CC3)c(C(=O)N3CCCCCC3)nc2c1.

What is the InChIKey of azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?

The InChIKey is LPHXCZVLFPVJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-17-7-10-26-18(16-24-13-11-23(2)12-14-24)20(22-19(26)15-17)21(27)25-8-5-3-4-6-9-25/h7,10,15H,3-6,8-9,11-14,16H2,1-2H3.

What are the key properties of azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?

azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 369.51 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 56877917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).