N-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylacetamide

About N-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylacetamide

N-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylacetamide (PubChem CID 75038235) has the molecular formula C20H21F6N5O2 and a molecular weight of 477.41 g/mol. Its IUPAC name is N-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name	N-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylacetamide
PubChem CID	75038235
Molecular Formula	C20H21F6N5O2
Molecular Weight	477.41 g/mol
Exact Mass	477.16
IUPAC Name	N-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylacetamide
SMILES	CC(=O)N(C)c1nc(C(F)(F)F)n2c1CN(C(=O)CC(N)Cc1cc(F)c(F)cc1F)CC2
InChI	InChI=1S/C20H21F6N5O2/c1-10(32)29(2)18-16-9-30(3-4-31(16)19(28-18)20(24,25)26)17(33)7-12(27)5-11-6-14(22)15(23)8-13(11)21/h6,8,12H,3-5,7,9,27H2,1-2H3
InChIKey	UPMZBXZCNFBADS-UHFFFAOYSA-N
XLogP	2.60
TPSA	84.46 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.41
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylacetamide?

The IUPAC name of N-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylacetamide (CID 75038235) is N-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylacetamide.

What is the SMILES notation for N-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylacetamide?

The canonical SMILES for N-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylacetamide is CC(=O)N(C)c1nc(C(F)(F)F)n2c1CN(C(=O)CC(N)Cc1cc(F)c(F)cc1F)CC2.

What is the InChIKey of N-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylacetamide?

The InChIKey is UPMZBXZCNFBADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F6N5O2/c1-10(32)29(2)18-16-9-30(3-4-31(16)19(28-18)20(24,25)26)17(33)7-12(27)5-11-6-14(22)15(23)8-13(11)21/h6,8,12H,3-5,7,9,27H2,1-2H3.

What are the key properties of N-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylacetamide?

N-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylacetamide has a molecular weight of 477.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 75038235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).