N-[5-(2-amino-2-oxoethyl)-3-phenylpyrazin-2-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C24H18F4N6O2 — CID 118393550

IUPACN-[5-(2-amino-2-oxoethyl)-3-phenylpyrazin-2-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3ncc(CC(N)=O)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C24H18F4N6O2/c1-34-8-7-19(33-34)15-10-16(18(25)11-17(15)24(26,27)28)23(36)32-22-21(13-5-3-2-4-6-13)31-14(12-30-22)9-20(29)35/h2-8,10-12H,9H2,1H3,(H2,29,35)(H,30,32,36)
InChIKeyQCWLLCHTJHVKLG-UHFFFAOYSA-N
MW498.44 g/mol
LogP3.98
Rot. Bonds6

About N-[5-(2-amino-2-oxoethyl)-3-phenylpyrazin-2-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-[5-(2-amino-2-oxoethyl)-3-phenylpyrazin-2-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118393550) has the molecular formula C24H18F4N6O2 and a molecular weight of 498.44 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)-3-phenylpyrazin-2-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)-3-phenylpyrazin-2-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118393550
Molecular FormulaC24H18F4N6O2
Molecular Weight498.44 g/mol
Exact Mass498.14
IUPAC NameN-[5-(2-amino-2-oxoethyl)-3-phenylpyrazin-2-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3ncc(CC(N)=O)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C24H18F4N6O2/c1-34-8-7-19(33-34)15-10-16(18(25)11-17(15)24(26,27)28)23(36)32-22-21(13-5-3-2-4-6-13)31-14(12-30-22)9-20(29)35/h2-8,10-12H,9H2,1H3,(H2,29,35)(H,30,32,36)
InChIKeyQCWLLCHTJHVKLG-UHFFFAOYSA-N
XLogP3.98
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-amino-2-oxoethyl)-4-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393194
N-[2-(3-amino-3-oxopropyl)-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393303
N-[2-(1,2-diamino-2-oxoethyl)-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393262
N-[2-(azidomethyl)-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393414
2-fluoro-N-[2-[[[(2S)-2-hydroxypropyl]amino]methyl]-4-phenylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393348
2-fluoro-N-[2-[[(2-methoxyacetyl)amino]methyl]-4-phenylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393346
2-fluoro-N-[2-[2-[(3-hydroxycyclobutyl)amino]-2-oxoethyl]-4-phenylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118411435
2-fluoro-N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenyl-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393551
N-[7-(1-ethoxyethenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118395441
2-fluoro-5-(1-methylpyrazol-3-yl)-N-(7-oxo-2-phenyl-6,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 118393374
N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-2-methylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393757
methyl 2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoate
CID 162365238

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)-3-phenylpyrazin-2-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)-3-phenylpyrazin-2-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118393550) is N-[5-(2-amino-2-oxoethyl)-3-phenylpyrazin-2-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)-3-phenylpyrazin-2-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)-3-phenylpyrazin-2-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3ncc(CC(N)=O)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)-3-phenylpyrazin-2-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is QCWLLCHTJHVKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N6O2/c1-34-8-7-19(33-34)15-10-16(18(25)11-17(15)24(26,27)28)23(36)32-22-21(13-5-3-2-4-6-13)31-14(12-30-22)9-20(29)35/h2-8,10-12H,9H2,1H3,(H2,29,35)(H,30,32,36).
What are the key properties of N-[5-(2-amino-2-oxoethyl)-3-phenylpyrazin-2-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-[5-(2-amino-2-oxoethyl)-3-phenylpyrazin-2-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 498.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)-3-phenylpyrazin-2-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).