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

C20H19F6N3O3 — CID 24800780

IUPACN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)n1)C1CC1
InChIInChI=1S/C20H19F6N3O3/c1-18(31,12-6-7-12)9-28-16(30)14-8-27-17(32-10-19(21,22)23)15(29-14)11-2-4-13(5-3-11)20(24,25)26/h2-5,8,12,31H,6-7,9-10H2,1H3,(H,28,30)/t18-/m0/s1
InChIKeyJXPSGNIEOZCMFD-SFHVURJKSA-N
MW463.38 g/mol
LogP3.99
Rot. Bonds7

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

N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 24800780) has the molecular formula C20H19F6N3O3 and a molecular weight of 463.38 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID24800780
Molecular FormulaC20H19F6N3O3
Molecular Weight463.38 g/mol
Exact Mass463.13
IUPAC NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)n1)C1CC1
InChIInChI=1S/C20H19F6N3O3/c1-18(31,12-6-7-12)9-28-16(30)14-8-27-17(32-10-19(21,22)23)15(29-14)11-2-4-13(5-3-11)20(24,25)26/h2-5,8,12,31H,6-7,9-10H2,1H3,(H,28,30)/t18-/m0/s1
InChIKeyJXPSGNIEOZCMFD-SFHVURJKSA-N
XLogP3.99
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 24800780) is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is C[C@](O)(CNC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)n1)C1CC1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is JXPSGNIEOZCMFD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19F6N3O3/c1-18(31,12-6-7-12)9-28-16(30)14-8-27-17(32-10-19(21,22)23)15(29-14)11-2-4-13(5-3-11)20(24,25)26/h2-5,8,12,31H,6-7,9-10H2,1H3,(H,28,30)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 463.38 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 24800780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).