2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyrrolidin-3-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

C27H30F3N9O3S — CID 171395398

About 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyrrolidin-3-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyrrolidin-3-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 171395398) has the molecular formula C27H30F3N9O3S and a molecular weight of 617.66 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyrrolidin-3-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyrrolidin-3-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
• PubChem CID: 171395398
• Molecular Formula: C27H30F3N9O3S
• Molecular Weight: 617.66 g/mol
• Exact Mass: 617.21
• IUPAC Name: 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyrrolidin-3-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
• SMILES: CCc1nc2ncc(C)cn2c1C(=O)NCc1ccc(C2CCN(c3nc4n(n3)CCN(S(=O)(=O)C(F)(F)F)C4)C2)cc1
• InChI: InChI=1S/C27H30F3N9O3S/c1-3-21-23(38-14-17(2)12-32-25(38)33-21)24(40)31-13-18-4-6-19(7-5-18)20-8-9-36(15-20)26-34-22-16-37(10-11-39(22)35-26)43(41,42)27(28,29)30/h4-7,12,14,20H,3,8-11,13,15-16H2,1-2H3,(H,31,40)
• InChIKey: PZGHHHCWWWPOQE-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 130.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.66
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyrrolidin-3-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyrrolidin-3-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (CID 171395398) is 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyrrolidin-3-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyrrolidin-3-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyrrolidin-3-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is CCc1nc2ncc(C)cn2c1C(=O)NCc1ccc(C2CCN(c3nc4n(n3)CCN(S(=O)(=O)C(F)(F)F)C4)C2)cc1.

What is the InChIKey of 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyrrolidin-3-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?

The InChIKey is PZGHHHCWWWPOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N9O3S/c1-3-21-23(38-14-17(2)12-32-25(38)33-21)24(40)31-13-18-4-6-19(7-5-18)20-8-9-36(15-20)26-34-22-16-37(10-11-39(22)35-26)43(41,42)27(28,29)30/h4-7,12,14,20H,3,8-11,13,15-16H2,1-2H3,(H,31,40).

What are the key properties of 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyrrolidin-3-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?

2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyrrolidin-3-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 617.66 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyrrolidin-3-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 171395398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).