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

C19H19F4N3O3 — CID 24856837

IUPACN-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESC[C@@](O)(CNC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C19H19F4N3O3/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-/m1/s1
InChIKeyUVUZDPBTERKOJC-GOSISDBHSA-N
MW413.37 g/mol
LogP3.11
Rot. Bonds7

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

N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (PubChem CID 24856837) has the molecular formula C19H19F4N3O3 and a molecular weight of 413.37 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
PubChem CID24856837
Molecular FormulaC19H19F4N3O3
Molecular Weight413.37 g/mol
Exact Mass413.14
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESC[C@@](O)(CNC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C19H19F4N3O3/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-/m1/s1
InChIKeyUVUZDPBTERKOJC-GOSISDBHSA-N
XLogP3.11
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (CID 24856837) is N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is C[C@@](O)(CNC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(F)cc2)n1)C1CC1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The InChIKey is UVUZDPBTERKOJC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19F4N3O3/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-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide has a molecular weight of 413.37 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 24856837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).