[5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate

C20H19F6N3O4 — CID 87579458

IUPAC[5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate
SMILESC[C@](O)(CNC(=O)Oc1cnc(OCC(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)n1)C1CC1
InChIInChI=1S/C20H19F6N3O4/c1-18(31,12-6-7-12)9-28-17(30)33-14-8-27-16(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
InChIKeyVOBXTELAIUUNQL-SFHVURJKSA-N
MW479.38 g/mol
LogP4.35
Rot. Bonds7

About [5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate

[5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate (PubChem CID 87579458) has the molecular formula C20H19F6N3O4 and a molecular weight of 479.38 g/mol. Its IUPAC name is [5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Name[5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate
PubChem CID87579458
Molecular FormulaC20H19F6N3O4
Molecular Weight479.38 g/mol
Exact Mass479.13
IUPAC Name[5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate
SMILESC[C@](O)(CNC(=O)Oc1cnc(OCC(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)n1)C1CC1
InChIInChI=1S/C20H19F6N3O4/c1-18(31,12-6-7-12)9-28-17(30)33-14-8-27-16(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
InChIKeyVOBXTELAIUUNQL-SFHVURJKSA-N
XLogP4.35
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.38
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate 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-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate?
The IUPAC name of [5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate (CID 87579458) is [5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate.
What is the SMILES notation for [5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate?
The canonical SMILES for [5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate is C[C@](O)(CNC(=O)Oc1cnc(OCC(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)n1)C1CC1.
What is the InChIKey of [5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate?
The InChIKey is VOBXTELAIUUNQL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19F6N3O4/c1-18(31,12-6-7-12)9-28-17(30)33-14-8-27-16(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 [5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate?
[5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate has a molecular weight of 479.38 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate is sourced from PubChem (CID 87579458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).