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

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

N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-4-fluorobenzamide;hydrochloride (PubChem CID 174601891) has the molecular formula C24H21ClF7N5O2 and a molecular weight of 579.90 g/mol. Its IUPAC name is N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name	N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-4-fluorobenzamide;hydrochloride
PubChem CID	174601891
Molecular Formula	C24H21ClF7N5O2
Molecular Weight	579.90 g/mol
Exact Mass	579.13
IUPAC Name	N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-4-fluorobenzamide;hydrochloride
SMILES	Cl.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(NC(=O)c3ccc(F)cc3)c2C1)Cc1cc(F)c(F)cc1F
InChI	InChI=1S/C24H20F7N5O2.ClH/c25-14-3-1-12(2-4-14)22(38)33-21-19-11-35(5-6-36(19)23(34-21)24(29,30)31)20(37)9-15(32)7-13-8-17(27)18(28)10-16(13)26;/h1-4,8,10,15H,5-7,9,11,32H2,(H,33,38);1H/t15-;/m1./s1
InChIKey	OLFIHIFQXFPOAR-XFULWGLBSA-N
XLogP	4.43
TPSA	93.25 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.90
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
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-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-4-fluorobenzamide;hydrochloride?

The IUPAC name of N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-4-fluorobenzamide;hydrochloride (CID 174601891) is N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-4-fluorobenzamide;hydrochloride.

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

The canonical SMILES for N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-4-fluorobenzamide;hydrochloride is Cl.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(NC(=O)c3ccc(F)cc3)c2C1)Cc1cc(F)c(F)cc1F.

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

The InChIKey is OLFIHIFQXFPOAR-XFULWGLBSA-N. The full InChI is InChI=1S/C24H20F7N5O2.ClH/c25-14-3-1-12(2-4-14)22(38)33-21-19-11-35(5-6-36(19)23(34-21)24(29,30)31)20(37)9-15(32)7-13-8-17(27)18(28)10-16(13)26;/h1-4,8,10,15H,5-7,9,11,32H2,(H,33,38);1H/t15-;/m1./s1.

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

N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-4-fluorobenzamide;hydrochloride has a molecular weight of 579.90 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 174601891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).