N-[2-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid

C15H23F3N4O4S — CID 155844174

About N-[2-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid

N-[2-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155844174) has the molecular formula C15H23F3N4O4S and a molecular weight of 412.43 g/mol. Its IUPAC name is N-[2-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[2-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155844174
• Molecular Formula: C15H23F3N4O4S
• Molecular Weight: 412.43 g/mol
• Exact Mass: 412.14
• IUPAC Name: N-[2-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
• SMILES: CS(=O)(=O)NCCC1CN(CC2CC2)Cc2cncn21.O=C(O)C(F)(F)F
• InChI: InChI=1S/C13H22N4O2S.C2HF3O2/c1-20(18,19)15-5-4-12-8-16(7-11-2-3-11)9-13-6-14-10-17(12)13;3-2(4,5)1(6)7/h6,10-12,15H,2-5,7-9H2,1H3;(H,6,7)
• InChIKey: FCTVQLQIZOXUFS-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 104.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.43
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[2-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 155844174) is N-[2-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[2-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[2-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid is CS(=O)(=O)NCCC1CN(CC2CC2)Cc2cncn21.O=C(O)C(F)(F)F.

What is the InChIKey of N-[2-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid?

The InChIKey is FCTVQLQIZOXUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S.C2HF3O2/c1-20(18,19)15-5-4-12-8-16(7-11-2-3-11)9-13-6-14-10-17(12)13;3-2(4,5)1(6)7/h6,10-12,15H,2-5,7-9H2,1H3;(H,6,7).

What are the key properties of N-[2-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid?

N-[2-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 412.43 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155844174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).