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

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

1-acetyl-N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide (PubChem CID 158251845) has the molecular formula C25H28F6N6O3 and a molecular weight of 574.53 g/mol. Its IUPAC name is 1-acetyl-N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name	1-acetyl-N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide
PubChem CID	158251845
Molecular Formula	C25H28F6N6O3
Molecular Weight	574.53 g/mol
Exact Mass	574.21
IUPAC Name	1-acetyl-N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide
SMILES	CC(=O)N1CCC(C(=O)Nc2nc(C(F)(F)F)n3c2CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC3)CC1
InChI	InChI=1S/C25H28F6N6O3/c1-13(38)35-4-2-14(3-5-35)23(40)33-22-20-12-36(6-7-37(20)24(34-22)25(29,30)31)21(39)10-16(32)8-15-9-18(27)19(28)11-17(15)26/h9,11,14,16H,2-8,10,12,32H2,1H3,(H,33,40)/t16-/m1/s1
InChIKey	GGURMFAJRZNRPQ-MRXNPFEDSA-N
XLogP	2.82
TPSA	113.56 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.53
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide?

The IUPAC name of 1-acetyl-N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide (CID 158251845) is 1-acetyl-N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-acetyl-N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2nc(C(F)(F)F)n3c2CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC3)CC1.

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

The InChIKey is GGURMFAJRZNRPQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H28F6N6O3/c1-13(38)35-4-2-14(3-5-35)23(40)33-22-20-12-36(6-7-37(20)24(34-22)25(29,30)31)21(39)10-16(32)8-15-9-18(27)19(28)11-17(15)26/h9,11,14,16H,2-8,10,12,32H2,1H3,(H,33,40)/t16-/m1/s1.

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

1-acetyl-N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide has a molecular weight of 574.53 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 158251845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).