3-amino-1-[1-thiophen-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

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

3-amino-1-[1-thiophen-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one (PubChem CID 174608491) has the molecular formula C21H18F6N4OS and a molecular weight of 488.46 g/mol. Its IUPAC name is 3-amino-1-[1-thiophen-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one.

Molecular Properties

Compound Name	3-amino-1-[1-thiophen-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
PubChem CID	174608491
Molecular Formula	C21H18F6N4OS
Molecular Weight	488.46 g/mol
Exact Mass	488.11
IUPAC Name	3-amino-1-[1-thiophen-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
SMILES	NC(CC(=O)N1CCn2c(C(F)(F)F)nc(-c3cccs3)c2C1)Cc1cc(F)c(F)cc1F
InChI	InChI=1S/C21H18F6N4OS/c22-13-9-15(24)14(23)7-11(13)6-12(28)8-18(32)30-3-4-31-16(10-30)19(17-2-1-5-33-17)29-20(31)21(25,26)27/h1-2,5,7,9,12H,3-4,6,8,10,28H2
InChIKey	RCFNZMDZUNBBNO-UHFFFAOYSA-N
XLogP	4.35
TPSA	64.15 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	488.46
LogP ≤ 5	4.35
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 3-amino-1-[1-thiophen-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one?

The IUPAC name of 3-amino-1-[1-thiophen-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one (CID 174608491) is 3-amino-1-[1-thiophen-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one.

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

The canonical SMILES for 3-amino-1-[1-thiophen-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one is NC(CC(=O)N1CCn2c(C(F)(F)F)nc(-c3cccs3)c2C1)Cc1cc(F)c(F)cc1F.

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

The InChIKey is RCFNZMDZUNBBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F6N4OS/c22-13-9-15(24)14(23)7-11(13)6-12(28)8-18(32)30-3-4-31-16(10-30)19(17-2-1-5-33-17)29-20(31)21(25,26)27/h1-2,5,7,9,12H,3-4,6,8,10,28H2.

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

3-amino-1-[1-thiophen-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one has a molecular weight of 488.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-[1-thiophen-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one is sourced from PubChem (CID 174608491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).