[2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]piperidin-1-yl]-2-oxoethyl]-dimethylazanium

C30H34F2N7O3+ — CID 162384556

About [2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]piperidin-1-yl]-2-oxoethyl]-dimethylazanium

[2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]piperidin-1-yl]-2-oxoethyl]-dimethylazanium (PubChem CID 162384556) has the molecular formula C30H34F2N7O3+ and a molecular weight of 578.64 g/mol. Its IUPAC name is [2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]piperidin-1-yl]-2-oxoethyl]-dimethylazanium.

Molecular Properties

• Compound Name: [2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]piperidin-1-yl]-2-oxoethyl]-dimethylazanium
• PubChem CID: 162384556
• Molecular Formula: C30H34F2N7O3+
• Molecular Weight: 578.64 g/mol
• Exact Mass: 578.27
• IUPAC Name: [2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]piperidin-1-yl]-2-oxoethyl]-dimethylazanium
• SMILES: COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NC5CCCN(C(=O)C[NH+](C)C)C5)c(C)c4)nccn23)c(F)c1F
• InChI: InChI=1S/C30H33F2N7O3/c1-18-14-19(7-8-21(18)30(41)36-20-6-5-12-38(16-20)25(40)17-37(2)3)35-28-29-34-15-23(39(29)13-11-33-28)22-9-10-24(42-4)27(32)26(22)31/h7-11,13-15,20H,5-6,12,16-17H2,1-4H3,(H,33,35)(H,36,41)/p+1
• InChIKey: AUSLVTRKPKGCNB-UHFFFAOYSA-O
• XLogP: 2.60
• TPSA: 105.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.64
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]piperidin-1-yl]-2-oxoethyl]-dimethylazanium (CID 162384556) is [2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]piperidin-1-yl]-2-oxoethyl]-dimethylazanium.

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

The canonical SMILES for [2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]piperidin-1-yl]-2-oxoethyl]-dimethylazanium is COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NC5CCCN(C(=O)C[NH+](C)C)C5)c(C)c4)nccn23)c(F)c1F.

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

The InChIKey is AUSLVTRKPKGCNB-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H33F2N7O3/c1-18-14-19(7-8-21(18)30(41)36-20-6-5-12-38(16-20)25(40)17-37(2)3)35-28-29-34-15-23(39(29)13-11-33-28)22-9-10-24(42-4)27(32)26(22)31/h7-11,13-15,20H,5-6,12,16-17H2,1-4H3,(H,33,35)(H,36,41)/p+1.

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

[2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]piperidin-1-yl]-2-oxoethyl]-dimethylazanium has a molecular weight of 578.64 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]piperidin-1-yl]-2-oxoethyl]-dimethylazanium is sourced from PubChem (CID 162384556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).