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

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Related Compounds

methyl 5-bromo-6-(4-chlorophenyl)-3-(trifluoromethyl)pyrazine-2-carboxylate
CID 86634702
5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide
CID 90499338
2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
CID 52992747
5-butoxy-N-(2-cyclopropyl-2-hydroxypropyl)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 91571801
5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 11951477
5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide
CID 24856756
[6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate
CID 68801079
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide
CID 99873881
N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 24800607
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 24800782
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide
CID 95986148
[6-[4-(methanesulfonamido)phenyl]-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazin-2-yl] N-(2-cyclopropyl-2-hydroxypropyl)carbamate
CID 89497424

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).