N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide

C22H24F3N3O4 — CID 24800782

IUPACN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1cnc(OCC2CC2)c(-c2ccc(OC(F)(F)F)cc2)n1)C1CC1
InChIInChI=1S/C22H24F3N3O4/c1-21(30,15-6-7-15)12-27-19(29)17-10-26-20(31-11-13-2-3-13)18(28-17)14-4-8-16(9-5-14)32-22(23,24)25/h4-5,8-10,13,15,30H,2-3,6-7,11-12H2,1H3,(H,27,29)/t21-/m0/s1
InChIKeyZWLSBTYDMWMEJE-NRFANRHFSA-N
MW451.45 g/mol
LogP3.72
Rot. Bonds9

About N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide

N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (PubChem CID 24800782) has the molecular formula C22H24F3N3O4 and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
PubChem CID24800782
Molecular FormulaC22H24F3N3O4
Molecular Weight451.45 g/mol
Exact Mass451.17
IUPAC NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1cnc(OCC2CC2)c(-c2ccc(OC(F)(F)F)cc2)n1)C1CC1
InChIInChI=1S/C22H24F3N3O4/c1-21(30,15-6-7-15)12-27-19(29)17-10-26-20(31-11-13-2-3-13)18(28-17)14-4-8-16(9-5-14)32-22(23,24)25/h4-5,8-10,13,15,30H,2-3,6-7,11-12H2,1H3,(H,27,29)/t21-/m0/s1
InChIKeyZWLSBTYDMWMEJE-NRFANRHFSA-N
XLogP3.72
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (CID 24800782) is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is C[C@](O)(CNC(=O)c1cnc(OCC2CC2)c(-c2ccc(OC(F)(F)F)cc2)n1)C1CC1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The InChIKey is ZWLSBTYDMWMEJE-NRFANRHFSA-N. The full InChI is InChI=1S/C22H24F3N3O4/c1-21(30,15-6-7-15)12-27-19(29)17-10-26-20(31-11-13-2-3-13)18(28-17)14-4-8-16(9-5-14)32-22(23,24)25/h4-5,8-10,13,15,30H,2-3,6-7,11-12H2,1H3,(H,27,29)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 24800782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).