6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

C19H19ClF3N3O3 — CID 24800611

IUPAC6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)n1)C1CC1
InChIInChI=1S/C19H19ClF3N3O3/c1-18(28,12-4-5-12)9-25-16(27)14-8-24-17(29-10-19(21,22)23)15(26-14)11-2-6-13(20)7-3-11/h2-3,6-8,12,28H,4-5,9-10H2,1H3,(H,25,27)/t18-/m0/s1
InChIKeySKBXMUQYHNAXCI-SFHVURJKSA-N
MW429.83 g/mol
LogP3.63
Rot. Bonds7

About 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (PubChem CID 24800611) has the molecular formula C19H19ClF3N3O3 and a molecular weight of 429.83 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
PubChem CID24800611
Molecular FormulaC19H19ClF3N3O3
Molecular Weight429.83 g/mol
Exact Mass429.11
IUPAC Name6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)n1)C1CC1
InChIInChI=1S/C19H19ClF3N3O3/c1-18(28,12-4-5-12)9-25-16(27)14-8-24-17(29-10-19(21,22)23)15(26-14)11-2-6-13(20)7-3-11/h2-3,6-8,12,28H,4-5,9-10H2,1H3,(H,25,27)/t18-/m0/s1
InChIKeySKBXMUQYHNAXCI-SFHVURJKSA-N
XLogP3.63
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.83
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (CID 24800611) is 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is C[C@](O)(CNC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)n1)C1CC1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The InChIKey is SKBXMUQYHNAXCI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19ClF3N3O3/c1-18(28,12-4-5-12)9-25-16(27)14-8-24-17(29-10-19(21,22)23)15(26-14)11-2-6-13(20)7-3-11/h2-3,6-8,12,28H,4-5,9-10H2,1H3,(H,25,27)/t18-/m0/s1.
What are the key properties of 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide has a molecular weight of 429.83 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 24800611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).