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

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

7-[(3S)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-[4-(dimethylamino)phenyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 78427999) has the molecular formula C26H26F6N6O2 and a molecular weight of 568.52 g/mol. Its IUPAC name is 7-[(3S)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-[4-(dimethylamino)phenyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name	7-[(3S)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-[4-(dimethylamino)phenyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID	78427999
Molecular Formula	C26H26F6N6O2
Molecular Weight	568.52 g/mol
Exact Mass	568.20
IUPAC Name	7-[(3S)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-[4-(dimethylamino)phenyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILES	CN(C)c1ccc(NC(=O)c2c(C(F)(F)F)nc3n2CCN(C(=O)C[C@@H](N)Cc2cc(F)c(F)cc2F)C3)cc1
InChI	InChI=1S/C26H26F6N6O2/c1-36(2)17-5-3-16(4-6-17)34-25(40)23-24(26(30,31)32)35-21-13-37(7-8-38(21)23)22(39)11-15(33)9-14-10-19(28)20(29)12-18(14)27/h3-6,10,12,15H,7-9,11,13,33H2,1-2H3,(H,34,40)/t15-/m0/s1
InChIKey	FFBXXISLEBZQSX-HNNXBMFYSA-N
XLogP	3.94
TPSA	96.49 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.52
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-[4-(dimethylamino)phenyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?

The IUPAC name of 7-[(3S)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-[4-(dimethylamino)phenyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 78427999) is 7-[(3S)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-[4-(dimethylamino)phenyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

What is the SMILES notation for 7-[(3S)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-[4-(dimethylamino)phenyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?

The canonical SMILES for 7-[(3S)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-[4-(dimethylamino)phenyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is CN(C)c1ccc(NC(=O)c2c(C(F)(F)F)nc3n2CCN(C(=O)C[C@@H](N)Cc2cc(F)c(F)cc2F)C3)cc1.

What is the InChIKey of 7-[(3S)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-[4-(dimethylamino)phenyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?

The InChIKey is FFBXXISLEBZQSX-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H26F6N6O2/c1-36(2)17-5-3-16(4-6-17)34-25(40)23-24(26(30,31)32)35-21-13-37(7-8-38(21)23)22(39)11-15(33)9-14-10-19(28)20(29)12-18(14)27/h3-6,10,12,15H,7-9,11,13,33H2,1-2H3,(H,34,40)/t15-/m0/s1.

What are the key properties of 7-[(3S)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-[4-(dimethylamino)phenyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?

7-[(3S)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-[4-(dimethylamino)phenyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 568.52 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3S)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-[4-(dimethylamino)phenyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 78427999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).