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

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

N-[5-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-pyridinyl]acetamide (PubChem CID 75038460) has the molecular formula C24H22F6N6O2 and a molecular weight of 540.47 g/mol. Its IUPAC name is N-[5-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name	N-[5-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-pyridinyl]acetamide
PubChem CID	75038460
Molecular Formula	C24H22F6N6O2
Molecular Weight	540.47 g/mol
Exact Mass	540.17
IUPAC Name	N-[5-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-pyridinyl]acetamide
SMILES	CC(=O)Nc1ccc(-c2nc(C(F)(F)F)n3c2CN(C(=O)CC(N)Cc2cc(F)c(F)cc2F)CC3)cn1
InChI	InChI=1S/C24H22F6N6O2/c1-12(37)33-20-3-2-13(10-32-20)22-19-11-35(4-5-36(19)23(34-22)24(28,29)30)21(38)8-15(31)6-14-7-17(26)18(27)9-16(14)25/h2-3,7,9-10,15H,4-6,8,11,31H2,1H3,(H,32,33,37)
InChIKey	SQKJUJMDGISTSD-UHFFFAOYSA-N
XLogP	3.64
TPSA	106.14 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.47
LogP ≤ 5	3.64
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 N-[5-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[5-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-pyridinyl]acetamide (CID 75038460) is N-[5-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-pyridinyl]acetamide.

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

The canonical SMILES for N-[5-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2nc(C(F)(F)F)n3c2CN(C(=O)CC(N)Cc2cc(F)c(F)cc2F)CC3)cn1.

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

The InChIKey is SQKJUJMDGISTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F6N6O2/c1-12(37)33-20-3-2-13(10-32-20)22-19-11-35(4-5-36(19)23(34-22)24(28,29)30)21(38)8-15(31)6-14-7-17(26)18(27)9-16(14)25/h2-3,7,9-10,15H,4-6,8,11,31H2,1H3,(H,32,33,37).

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

N-[5-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-pyridinyl]acetamide has a molecular weight of 540.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 75038460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).