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

C20H23F6N5O2 — CID 164595511

IUPAC7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethane
SMILESCC.NC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)CC(N)Cc1cc(F)c(F)cc1F)CC2
InChIInChI=1S/C18H17F6N5O2.C2H6/c19-10-6-12(21)11(20)4-8(10)3-9(25)5-14(30)28-1-2-29-13(7-28)15(16(26)31)27-17(29)18(22,23)24;1-2/h4,6,9H,1-3,5,7,25H2,(H2,26,31);1-2H3
InChIKeyHJTQBVWFDGIPOS-UHFFFAOYSA-N
MW479.43 g/mol
LogP2.75
Rot. Bonds5

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

7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethane (PubChem CID 164595511) has the molecular formula C20H23F6N5O2 and a molecular weight of 479.43 g/mol. Its IUPAC name is 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethane.

Molecular Properties

Compound Name7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethane
PubChem CID164595511
Molecular FormulaC20H23F6N5O2
Molecular Weight479.43 g/mol
Exact Mass479.18
IUPAC Name7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethane
SMILESCC.NC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)CC(N)Cc1cc(F)c(F)cc1F)CC2
InChIInChI=1S/C18H17F6N5O2.C2H6/c19-10-6-12(21)11(20)4-8(10)3-9(25)5-14(30)28-1-2-29-13(7-28)15(16(26)31)27-17(29)18(22,23)24;1-2/h4,6,9H,1-3,5,7,25H2,(H2,26,31);1-2H3
InChIKeyHJTQBVWFDGIPOS-UHFFFAOYSA-N
XLogP2.75
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethane?
The IUPAC name of 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethane (CID 164595511) is 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethane.
What is the SMILES notation for 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethane?
The canonical SMILES for 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethane is CC.NC(=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]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethane?
The InChIKey is HJTQBVWFDGIPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F6N5O2.C2H6/c19-10-6-12(21)11(20)4-8(10)3-9(25)5-14(30)28-1-2-29-13(7-28)15(16(26)31)27-17(29)18(22,23)24;1-2/h4,6,9H,1-3,5,7,25H2,(H2,26,31);1-2H3.
What are the key properties of 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethane?
7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethane has a molecular weight of 479.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 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]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethane is sourced from PubChem (CID 164595511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).