2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide

C21H15F7N4O — CID 90312746

IUPAC2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(F)(F)F
InChIInChI=1S/C21H15F7N4O/c1-10(20(23,24)25)32-19(33)15-7-12(21(26,27)28)3-5-13(15)11-2-4-14(16(22)6-11)17-8-31-18(29)9-30-17/h2-10H,1H3,(H2,29,31)(H,32,33)/t10-/m1/s1
InChIKeyNEDUUSOMXGNWRA-SNVBAGLBSA-N
MW472.36 g/mol
LogP5.23
Rot. Bonds4

About 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide

2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide (PubChem CID 90312746) has the molecular formula C21H15F7N4O and a molecular weight of 472.36 g/mol. Its IUPAC name is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide.

Molecular Properties

Compound Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
PubChem CID90312746
Molecular FormulaC21H15F7N4O
Molecular Weight472.36 g/mol
Exact Mass472.11
IUPAC Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(F)(F)F
InChIInChI=1S/C21H15F7N4O/c1-10(20(23,24)25)32-19(33)15-7-12(21(26,27)28)3-5-13(15)11-2-4-14(16(22)6-11)17-8-31-18(29)9-30-17/h2-10H,1H3,(H2,29,31)(H,32,33)/t10-/m1/s1
InChIKeyNEDUUSOMXGNWRA-SNVBAGLBSA-N
XLogP5.23
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.36
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide 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

5-[2-fluoro-4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine
CID 90313982
5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine
CID 144679153
S-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]methyl] ethanethioate
CID 131733122
[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone
CID 138712237
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfinamide
CID 137395950
2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 18712129
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfinamide
CID 144679063
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide
CID 135360356
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide
CID 90313025
N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide
CID 90313395
5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride
CID 90312683
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfinamide
CID 137395613

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide?
The IUPAC name of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide (CID 90312746) is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide.
What is the SMILES notation for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide?
The canonical SMILES for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide is C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(F)(F)F.
What is the InChIKey of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide?
The InChIKey is NEDUUSOMXGNWRA-SNVBAGLBSA-N. The full InChI is InChI=1S/C21H15F7N4O/c1-10(20(23,24)25)32-19(33)15-7-12(21(26,27)28)3-5-13(15)11-2-4-14(16(22)6-11)17-8-31-18(29)9-30-17/h2-10H,1H3,(H2,29,31)(H,32,33)/t10-/m1/s1.
What are the key properties of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide?
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide has a molecular weight of 472.36 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide is sourced from PubChem (CID 90312746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).