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

C31H35F2N8O4+ — CID 162384575

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

(2-amino-2-oxoethyl)-[2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]amino]azetidin-1-yl]-2-oxoethyl]-dimethylazanium (PubChem CID 162384575) has the molecular formula C31H35F2N8O4+ and a molecular weight of 621.67 g/mol. Its IUPAC name is (2-amino-2-oxoethyl)-[2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]amino]azetidin-1-yl]-2-oxoethyl]-dimethylazanium.

Molecular Properties

• Compound Name: (2-amino-2-oxoethyl)-[2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]amino]azetidin-1-yl]-2-oxoethyl]-dimethylazanium
• PubChem CID: 162384575
• Molecular Formula: C31H35F2N8O4+
• Molecular Weight: 621.67 g/mol
• Exact Mass: 621.27
• IUPAC Name: (2-amino-2-oxoethyl)-[2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]amino]azetidin-1-yl]-2-oxoethyl]-dimethylazanium
• SMILES: CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NC1CN(C(=O)C[N+](C)(C)CC(N)=O)C1
• InChI: InChI=1S/C31H34F2N8O4/c1-5-18-12-19(6-7-21(18)31(44)38-20-14-39(15-20)26(43)17-41(2,3)16-25(34)42)37-29-30-36-13-23(40(30)11-10-35-29)22-8-9-24(45-4)28(33)27(22)32/h6-13,20H,5,14-17H2,1-4H3,(H3-,34,35,37,38,42,44)/p+1
• InChIKey: MUMWUPGWLGIHCZ-UHFFFAOYSA-O
• XLogP: 2.49
• TPSA: 143.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	621.67
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (2-amino-2-oxoethyl)-[2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]amino]azetidin-1-yl]-2-oxoethyl]-dimethylazanium (CID 162384575) is (2-amino-2-oxoethyl)-[2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]amino]azetidin-1-yl]-2-oxoethyl]-dimethylazanium.

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

The canonical SMILES for (2-amino-2-oxoethyl)-[2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]amino]azetidin-1-yl]-2-oxoethyl]-dimethylazanium is CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NC1CN(C(=O)C[N+](C)(C)CC(N)=O)C1.

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

The InChIKey is MUMWUPGWLGIHCZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C31H34F2N8O4/c1-5-18-12-19(6-7-21(18)31(44)38-20-14-39(15-20)26(43)17-41(2,3)16-25(34)42)37-29-30-36-13-23(40(30)11-10-35-29)22-8-9-24(45-4)28(33)27(22)32/h6-13,20H,5,14-17H2,1-4H3,(H3-,34,35,37,38,42,44)/p+1.

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

(2-amino-2-oxoethyl)-[2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]amino]azetidin-1-yl]-2-oxoethyl]-dimethylazanium has a molecular weight of 621.67 g/mol, XLogP of 2.49, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-2-oxoethyl)-[2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]amino]azetidin-1-yl]-2-oxoethyl]-dimethylazanium is sourced from PubChem (CID 162384575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).