5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide

C18H16BrClF3N3O2 — CID 86634704

IUPAC5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCC(O)(CNC(=O)c1nc(-c2ccc(Cl)cc2)c(Br)nc1C(F)(F)F)C1CC1
InChIInChI=1S/C18H16BrClF3N3O2/c1-17(28,10-4-5-10)8-24-16(27)13-14(18(21,22)23)26-15(19)12(25-13)9-2-6-11(20)7-3-9/h2-3,6-7,10,28H,4-5,8H2,1H3,(H,24,27)
InChIKeyVSZGRJHKPWCZEG-UHFFFAOYSA-N
MW478.70 g/mol
LogP4.47
Rot. Bonds5

About 5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide

5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 86634704) has the molecular formula C18H16BrClF3N3O2 and a molecular weight of 478.70 g/mol. Its IUPAC name is 5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide
PubChem CID86634704
Molecular FormulaC18H16BrClF3N3O2
Molecular Weight478.70 g/mol
Exact Mass477.01
IUPAC Name5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCC(O)(CNC(=O)c1nc(-c2ccc(Cl)cc2)c(Br)nc1C(F)(F)F)C1CC1
InChIInChI=1S/C18H16BrClF3N3O2/c1-17(28,10-4-5-10)8-24-16(27)13-14(18(21,22)23)26-15(19)12(25-13)9-2-6-11(20)7-3-9/h2-3,6-7,10,28H,4-5,8H2,1H3,(H,24,27)
InChIKeyVSZGRJHKPWCZEG-UHFFFAOYSA-N
XLogP4.47
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.70
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide (CID 86634704) is 5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide is CC(O)(CNC(=O)c1nc(-c2ccc(Cl)cc2)c(Br)nc1C(F)(F)F)C1CC1.
What is the InChIKey of 5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide?
The InChIKey is VSZGRJHKPWCZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClF3N3O2/c1-17(28,10-4-5-10)8-24-16(27)13-14(18(21,22)23)26-15(19)12(25-13)9-2-6-11(20)7-3-9/h2-3,6-7,10,28H,4-5,8H2,1H3,(H,24,27).
What are the key properties of 5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide?
5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 478.70 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 86634704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).