3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide

C23H19F4N4O2- — CID 157150667

IUPAC3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide
SMILESFC(F)(F)C[N-]CCc1c[nH]c2ccccc12.O=C(O)c1nccnc1-c1ccc(F)cc1
InChIInChI=1S/C12H12F3N2.C11H7FN2O2/c13-12(14,15)8-16-6-5-9-7-17-11-4-2-1-3-10(9)11;12-8-3-1-7(2-4-8)9-10(11(15)16)14-6-5-13-9/h1-4,7,17H,5-6,8H2;1-6H,(H,15,16)/q-1;
InChIKeyALFJAXLPTWTGJG-UHFFFAOYSA-N
MW459.42 g/mol
LogP5.63
Rot. Bonds6

About 3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide

3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide (PubChem CID 157150667) has the molecular formula C23H19F4N4O2- and a molecular weight of 459.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide.

Molecular Properties

Compound Name3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide
PubChem CID157150667
Molecular FormulaC23H19F4N4O2-
Molecular Weight459.42 g/mol
Exact Mass459.14
IUPAC Name3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide
SMILESFC(F)(F)C[N-]CCc1c[nH]c2ccccc12.O=C(O)c1nccnc1-c1ccc(F)cc1
InChIInChI=1S/C12H12F3N2.C11H7FN2O2/c13-12(14,15)8-16-6-5-9-7-17-11-4-2-1-3-10(9)11;12-8-3-1-7(2-4-8)9-10(11(15)16)14-6-5-13-9/h1-4,7,17H,5-6,8H2;1-6H,(H,15,16)/q-1;
InChIKeyALFJAXLPTWTGJG-UHFFFAOYSA-N
XLogP5.63
TPSA92.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.42
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide
CID 158159719
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 45377350
N-(cyclopropylmethyl)-2-(1H-indol-3-yl)ethanamine;3-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 162622552
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide
CID 45377349
N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 67232481
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propan-2-ylpyrazine-2-carboxamide
CID 45377488
[2-(5-fluoro-1H-indol-3-yl)ethyl-[3-(4-fluorophenyl)pyrazine-2-carbonyl]amino]methyl acetate
CID 150924931
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide
CID 46820436
4-(3,4-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 67232399
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide
CID 67231003
5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid
CID 582674
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide?
The IUPAC name of 3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide (CID 157150667) is 3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide.
What is the SMILES notation for 3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide?
The canonical SMILES for 3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide is FC(F)(F)C[N-]CCc1c[nH]c2ccccc12.O=C(O)c1nccnc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide?
The InChIKey is ALFJAXLPTWTGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N2.C11H7FN2O2/c13-12(14,15)8-16-6-5-9-7-17-11-4-2-1-3-10(9)11;12-8-3-1-7(2-4-8)9-10(11(15)16)14-6-5-13-9/h1-4,7,17H,5-6,8H2;1-6H,(H,15,16)/q-1;.
What are the key properties of 3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide?
3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide has a molecular weight of 459.42 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(1H-indol-3-yl)ethyl-(2,2,2-trifluoroethyl)azanide is sourced from PubChem (CID 157150667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).