N-[2-[7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid

C16H22F3N5O4S2 — CID 155840924

About N-[2-[7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid

N-[2-[7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155840924) has the molecular formula C16H22F3N5O4S2 and a molecular weight of 469.51 g/mol. Its IUPAC name is N-[2-[7-[(4-methyl-1,3-thiazol-2-yl)methyl]-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-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155840924
• Molecular Formula: C16H22F3N5O4S2
• Molecular Weight: 469.51 g/mol
• Exact Mass: 469.11
• IUPAC Name: N-[2-[7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1csc(CN2Cc3cncn3C(CCNS(C)(=O)=O)C2)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C14H21N5O2S2.C2HF3O2/c1-11-9-22-14(17-11)8-18-6-12(3-4-16-23(2,20)21)19-10-15-5-13(19)7-18;3-2(4,5)1(6)7/h5,9-10,12,16H,3-4,6-8H2,1-2H3;(H,6,7)
• InChIKey: RGWLPDKBFVIVNB-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 117.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.51
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-[(4-methyl-1,3-thiazol-2-yl)methyl]-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-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 155840924) is N-[2-[7-[(4-methyl-1,3-thiazol-2-yl)methyl]-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-[(4-methyl-1,3-thiazol-2-yl)methyl]-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-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid is Cc1csc(CN2Cc3cncn3C(CCNS(C)(=O)=O)C2)n1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[2-[7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid?

The InChIKey is RGWLPDKBFVIVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S2.C2HF3O2/c1-11-9-22-14(17-11)8-18-6-12(3-4-16-23(2,20)21)19-10-15-5-13(19)7-18;3-2(4,5)1(6)7/h5,9-10,12,16H,3-4,6-8H2,1-2H3;(H,6,7).

What are the key properties of N-[2-[7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid?

N-[2-[7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 469.51 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155840924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).