N-[1-[3-(4-cyanophenyl)-8-(dimethylamino)imidazo[1,2-a]pyrazin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide

C30H30F4N6O3S — CID 45486528

About N-[1-[3-(4-cyanophenyl)-8-(dimethylamino)imidazo[1,2-a]pyrazin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide

N-[1-[3-(4-cyanophenyl)-8-(dimethylamino)imidazo[1,2-a]pyrazin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 45486528) has the molecular formula C30H30F4N6O3S and a molecular weight of 630.67 g/mol. Its IUPAC name is N-[1-[3-(4-cyanophenyl)-8-(dimethylamino)imidazo[1,2-a]pyrazin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[1-[3-(4-cyanophenyl)-8-(dimethylamino)imidazo[1,2-a]pyrazin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 45486528
• Molecular Formula: C30H30F4N6O3S
• Molecular Weight: 630.67 g/mol
• Exact Mass: 630.20
• IUPAC Name: N-[1-[3-(4-cyanophenyl)-8-(dimethylamino)imidazo[1,2-a]pyrazin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
• SMILES: CCS(=O)(=O)CCN(C(=O)Cc1ccc(C(F)(F)F)c(F)c1)C(C)c1nc2c(N(C)C)nccn2c1-c1ccc(C#N)cc1
• InChI: InChI=1S/C30H30F4N6O3S/c1-5-44(42,43)15-14-39(25(41)17-21-8-11-23(24(31)16-21)30(32,33)34)19(2)26-27(22-9-6-20(18-35)7-10-22)40-13-12-36-28(38(3)4)29(40)37-26/h6-13,16,19H,5,14-15,17H2,1-4H3
• InChIKey: XZVSGHVDVWMTMY-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 111.67 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.67
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-cyanophenyl)-8-(dimethylamino)imidazo[1,2-a]pyrazin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of N-[1-[3-(4-cyanophenyl)-8-(dimethylamino)imidazo[1,2-a]pyrazin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide (CID 45486528) is N-[1-[3-(4-cyanophenyl)-8-(dimethylamino)imidazo[1,2-a]pyrazin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for N-[1-[3-(4-cyanophenyl)-8-(dimethylamino)imidazo[1,2-a]pyrazin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for N-[1-[3-(4-cyanophenyl)-8-(dimethylamino)imidazo[1,2-a]pyrazin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide is CCS(=O)(=O)CCN(C(=O)Cc1ccc(C(F)(F)F)c(F)c1)C(C)c1nc2c(N(C)C)nccn2c1-c1ccc(C#N)cc1.

What is the InChIKey of N-[1-[3-(4-cyanophenyl)-8-(dimethylamino)imidazo[1,2-a]pyrazin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide?

The InChIKey is XZVSGHVDVWMTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F4N6O3S/c1-5-44(42,43)15-14-39(25(41)17-21-8-11-23(24(31)16-21)30(32,33)34)19(2)26-27(22-9-6-20(18-35)7-10-22)40-13-12-36-28(38(3)4)29(40)37-26/h6-13,16,19H,5,14-15,17H2,1-4H3.

What are the key properties of N-[1-[3-(4-cyanophenyl)-8-(dimethylamino)imidazo[1,2-a]pyrazin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide?

N-[1-[3-(4-cyanophenyl)-8-(dimethylamino)imidazo[1,2-a]pyrazin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 630.67 g/mol, XLogP of 5.06, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(4-cyanophenyl)-8-(dimethylamino)imidazo[1,2-a]pyrazin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 45486528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).