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

C25H25F3N6O3S — CID 171395411

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

2-ethyl-6-methyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 171395411) has the molecular formula C25H25F3N6O3S and a molecular weight of 546.58 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-6-methyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 171395411
• Molecular Formula: C25H25F3N6O3S
• Molecular Weight: 546.58 g/mol
• Exact Mass: 546.17
• IUPAC Name: 2-ethyl-6-methyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2ccc(C)cn2c1C(=O)NCc1ccc(-c2cn3c(n2)CN(S(=O)(=O)C(F)(F)F)CC3)cc1
• InChI: InChI=1S/C25H25F3N6O3S/c1-3-19-23(34-13-16(2)4-9-21(34)30-19)24(35)29-12-17-5-7-18(8-6-17)20-14-32-10-11-33(15-22(32)31-20)38(36,37)25(26,27)28/h4-9,13-14H,3,10-12,15H2,1-2H3,(H,29,35)
• InChIKey: XAALWZHVVDMMFF-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 101.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.58
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-ethyl-6-methyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 171395411) is 2-ethyl-6-methyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for 2-ethyl-6-methyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(C)cn2c1C(=O)NCc1ccc(-c2cn3c(n2)CN(S(=O)(=O)C(F)(F)F)CC3)cc1.

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

The InChIKey is XAALWZHVVDMMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O3S/c1-3-19-23(34-13-16(2)4-9-21(34)30-19)24(35)29-12-17-5-7-18(8-6-17)20-14-32-10-11-33(15-22(32)31-20)38(36,37)25(26,27)28/h4-9,13-14H,3,10-12,15H2,1-2H3,(H,29,35).

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

2-ethyl-6-methyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 546.58 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-6-methyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 171395411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).