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

C22H19ClF7N5O — CID 75039483

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

3-amino-1-[1-(3-fluoro-4-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride (PubChem CID 75039483) has the molecular formula C22H19ClF7N5O and a molecular weight of 537.87 g/mol. Its IUPAC name is 3-amino-1-[1-(3-fluoro-4-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride.

Molecular Properties

• Compound Name: 3-amino-1-[1-(3-fluoro-4-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
• PubChem CID: 75039483
• Molecular Formula: C22H19ClF7N5O
• Molecular Weight: 537.87 g/mol
• Exact Mass: 537.12
• IUPAC Name: 3-amino-1-[1-(3-fluoro-4-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
• SMILES: Cl.NC(CC(=O)N1CCn2c(C(F)(F)F)nc(-c3ccncc3F)c2C1)Cc1cc(F)c(F)cc1F
• InChI: InChI=1S/C22H18F7N5O.ClH/c23-14-8-16(25)15(24)6-11(14)5-12(30)7-19(35)33-3-4-34-18(10-33)20(32-21(34)22(27,28)29)13-1-2-31-9-17(13)26;/h1-2,6,8-9,12H,3-5,7,10,30H2;1H
• InChIKey: DMOADGUIUQOXFI-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 77.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.87
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[1-(3-fluoro-4-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride?

The IUPAC name of 3-amino-1-[1-(3-fluoro-4-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride (CID 75039483) is 3-amino-1-[1-(3-fluoro-4-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride.

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

The canonical SMILES for 3-amino-1-[1-(3-fluoro-4-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride is Cl.NC(CC(=O)N1CCn2c(C(F)(F)F)nc(-c3ccncc3F)c2C1)Cc1cc(F)c(F)cc1F.

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

The InChIKey is DMOADGUIUQOXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F7N5O.ClH/c23-14-8-16(25)15(24)6-11(14)5-12(30)7-19(35)33-3-4-34-18(10-33)20(32-21(34)22(27,28)29)13-1-2-31-9-17(13)26;/h1-2,6,8-9,12H,3-5,7,10,30H2;1H.

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

3-amino-1-[1-(3-fluoro-4-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride has a molecular weight of 537.87 g/mol, XLogP of 4.24, 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-(3-fluoro-4-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride is sourced from PubChem (CID 75039483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).