7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C20H21F6N5O2 — CID 74947053

IUPAC7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCN(C)C(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)CC(N)Cc1cc(F)c(F)cc1F)CC2
InChIInChI=1S/C20H21F6N5O2/c1-29(2)18(33)17-15-9-30(3-4-31(15)19(28-17)20(24,25)26)16(32)7-11(27)5-10-6-13(22)14(23)8-12(10)21/h6,8,11H,3-5,7,9,27H2,1-2H3
InChIKeyDFIYQWYUBYZYEU-UHFFFAOYSA-N
MW477.41 g/mol
LogP2.32
Rot. Bonds5

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

7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 74947053) has the molecular formula C20H21F6N5O2 and a molecular weight of 477.41 g/mol. Its IUPAC name is 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID74947053
Molecular FormulaC20H21F6N5O2
Molecular Weight477.41 g/mol
Exact Mass477.16
IUPAC Name7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCN(C)C(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)CC(N)Cc1cc(F)c(F)cc1F)CC2
InChIInChI=1S/C20H21F6N5O2/c1-29(2)18(33)17-15-9-30(3-4-31(15)19(28-17)20(24,25)26)16(32)7-11(27)5-10-6-13(22)14(23)8-12(10)21/h6,8,11H,3-5,7,9,27H2,1-2H3
InChIKeyDFIYQWYUBYZYEU-UHFFFAOYSA-N
XLogP2.32
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 74947053) is 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CN(C)C(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)CC(N)Cc1cc(F)c(F)cc1F)CC2.
What is the InChIKey of 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is DFIYQWYUBYZYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F6N5O2/c1-29(2)18(33)17-15-9-30(3-4-31(15)19(28-17)20(24,25)26)16(32)7-11(27)5-10-6-13(22)14(23)8-12(10)21/h6,8,11H,3-5,7,9,27H2,1-2H3.
What are the key properties of 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 477.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 74947053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).