N-propyl-2-[2-(trifluoromethyl)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C17H15F3N4O2 — CID 67008167

IUPACN-propyl-2-[2-(trifluoromethyl)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ncc(Oc3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C17H15F3N4O2/c1-2-7-21-16(25)10-8-22-15-14(10)24-13(9-23-15)26-12-6-4-3-5-11(12)17(18,19)20/h3-6,8-9H,2,7H2,1H3,(H,21,25)(H,22,23)
InChIKeyWODLWTVXDVTPSG-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.91
Rot. Bonds5

About N-propyl-2-[2-(trifluoromethyl)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-propyl-2-[2-(trifluoromethyl)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 67008167) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is N-propyl-2-[2-(trifluoromethyl)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-propyl-2-[2-(trifluoromethyl)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID67008167
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC NameN-propyl-2-[2-(trifluoromethyl)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ncc(Oc3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C17H15F3N4O2/c1-2-7-21-16(25)10-8-22-15-14(10)24-13(9-23-15)26-12-6-4-3-5-11(12)17(18,19)20/h3-6,8-9H,2,7H2,1H3,(H,21,25)(H,22,23)
InChIKeyWODLWTVXDVTPSG-UHFFFAOYSA-N
XLogP3.91
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[2-(trifluoromethyl)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-propyl-2-[2-(trifluoromethyl)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 67008167) is N-propyl-2-[2-(trifluoromethyl)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-propyl-2-[2-(trifluoromethyl)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-propyl-2-[2-(trifluoromethyl)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CCCNC(=O)c1c[nH]c2ncc(Oc3ccccc3C(F)(F)F)nc12.
What is the InChIKey of N-propyl-2-[2-(trifluoromethyl)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is WODLWTVXDVTPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-2-7-21-16(25)10-8-22-15-14(10)24-13(9-23-15)26-12-6-4-3-5-11(12)17(18,19)20/h3-6,8-9H,2,7H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-propyl-2-[2-(trifluoromethyl)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-propyl-2-[2-(trifluoromethyl)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 364.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[2-(trifluoromethyl)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 67008167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).