[2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-2-oxoethyl]-dimethylazanium

C29H32F2N7O3+ — CID 162384657

About [2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-2-oxoethyl]-dimethylazanium

[2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-2-oxoethyl]-dimethylazanium (PubChem CID 162384657) has the molecular formula C29H32F2N7O3+ and a molecular weight of 564.62 g/mol. Its IUPAC name is [2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-2-oxoethyl]-dimethylazanium.

Molecular Properties

• Compound Name: [2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-2-oxoethyl]-dimethylazanium
• PubChem CID: 162384657
• Molecular Formula: C29H32F2N7O3+
• Molecular Weight: 564.62 g/mol
• Exact Mass: 564.25
• IUPAC Name: [2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-2-oxoethyl]-dimethylazanium
• SMILES: Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1
• InChI: InChI=1S/C29H31F2N7O3/c1-19-16-21(6-9-23(19)28(40)37-14-12-36(13-15-37)25(39)18-35(2)3)34-26-27-33-17-24(38(27)11-10-32-26)20-4-7-22(8-5-20)41-29(30)31/h4-11,16-17,29H,12-15,18H2,1-3H3,(H,32,34)/p+1
• InChIKey: ADNGFQIDMOVAJK-UHFFFAOYSA-O
• XLogP: 2.48
• TPSA: 96.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.62
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-2-oxoethyl]-dimethylazanium?

The IUPAC name of [2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-2-oxoethyl]-dimethylazanium (CID 162384657) is [2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-2-oxoethyl]-dimethylazanium.

What is the SMILES notation for [2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-2-oxoethyl]-dimethylazanium?

The canonical SMILES for [2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-2-oxoethyl]-dimethylazanium is Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1.

What is the InChIKey of [2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-2-oxoethyl]-dimethylazanium?

The InChIKey is ADNGFQIDMOVAJK-UHFFFAOYSA-O. The full InChI is InChI=1S/C29H31F2N7O3/c1-19-16-21(6-9-23(19)28(40)37-14-12-36(13-15-37)25(39)18-35(2)3)34-26-27-33-17-24(38(27)11-10-32-26)20-4-7-22(8-5-20)41-29(30)31/h4-11,16-17,29H,12-15,18H2,1-3H3,(H,32,34)/p+1.

What are the key properties of [2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-2-oxoethyl]-dimethylazanium?

[2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-2-oxoethyl]-dimethylazanium has a molecular weight of 564.62 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-2-oxoethyl]-dimethylazanium is sourced from PubChem (CID 162384657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).