N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

C27H20F5N3O2 — CID 123825608

IUPACN-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCC(c1ccccc1)c1nc(-c2ccc(CO)cc2)cnc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C27H20F5N3O2/c1-14(16-5-3-2-4-6-16)26-27(33-12-19(34-26)17-9-7-15(13-36)8-10-17)35-20(37)11-18-21(28)23(30)25(32)24(31)22(18)29/h2-10,12,14,36H,11,13H2,1H3,(H,33,35,37)
InChIKeyWQISCIOYXATRAY-UHFFFAOYSA-N
MW513.47 g/mol
LogP5.66
Rot. Bonds7

About N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 123825608) has the molecular formula C27H20F5N3O2 and a molecular weight of 513.47 g/mol. Its IUPAC name is N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID123825608
Molecular FormulaC27H20F5N3O2
Molecular Weight513.47 g/mol
Exact Mass513.15
IUPAC NameN-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCC(c1ccccc1)c1nc(-c2ccc(CO)cc2)cnc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C27H20F5N3O2/c1-14(16-5-3-2-4-6-16)26-27(33-12-19(34-26)17-9-7-15(13-36)8-10-17)35-20(37)11-18-21(28)23(30)25(32)24(31)22(18)29/h2-10,12,14,36H,11,13H2,1H3,(H,33,35,37)
InChIKeyWQISCIOYXATRAY-UHFFFAOYSA-N
XLogP5.66
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.47
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Coelenteramide
CID 448487
3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 24985362
4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045595
4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 118045839
4-[6-(1-acetylpiperidin-4-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118046059
4-(3-amino-6-cyclopropylpyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118046443
4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118046610
US11046658, Example 90
CID 150845811
US11046658, Example 88
CID 152442579
US11046658, Example 91
CID 152460522
N-[3-(4-fluorophenyl)-6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
CID 49778231
N-[5-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 89763952

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 123825608) is N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is CC(c1ccccc1)c1nc(-c2ccc(CO)cc2)cnc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is WQISCIOYXATRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F5N3O2/c1-14(16-5-3-2-4-6-16)26-27(33-12-19(34-26)17-9-7-15(13-36)8-10-17)35-20(37)11-18-21(28)23(30)25(32)24(31)22(18)29/h2-10,12,14,36H,11,13H2,1H3,(H,33,35,37).
What are the key properties of N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 513.47 g/mol, XLogP of 5.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(hydroxymethyl)phenyl]-3-(1-phenylethyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 123825608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).