[2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

C17H15F3N4O3 — CID 67371878

IUPAC[2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(-c3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C17H15F3N4O3/c1-9(2)23-16(25)26-13-8-22-15-14(13)24-11(7-21-15)10-5-3-4-6-12(10)27-17(18,19)20/h3-9H,1-2H3,(H,21,22)(H,23,25)
InChIKeyLQXXQAQQPIXJPE-UHFFFAOYSA-N
MW380.33 g/mol
LogP4.02
Rot. Bonds4

About [2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

[2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (PubChem CID 67371878) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is [2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
PubChem CID67371878
Molecular FormulaC17H15F3N4O3
Molecular Weight380.33 g/mol
Exact Mass380.11
IUPAC Name[2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(-c3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C17H15F3N4O3/c1-9(2)23-16(25)26-13-8-22-15-14(13)24-11(7-21-15)10-5-3-4-6-12(10)27-17(18,19)20/h3-9H,1-2H3,(H,21,22)(H,23,25)
InChIKeyLQXXQAQQPIXJPE-UHFFFAOYSA-N
XLogP4.02
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The IUPAC name of [2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (CID 67371878) is [2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1c[nH]c2ncc(-c3ccccc3OC(F)(F)F)nc12.
What is the InChIKey of [2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The InChIKey is LQXXQAQQPIXJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3/c1-9(2)23-16(25)26-13-8-22-15-14(13)24-11(7-21-15)10-5-3-4-6-12(10)27-17(18,19)20/h3-9H,1-2H3,(H,21,22)(H,23,25).
What are the key properties of [2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
[2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate has a molecular weight of 380.33 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 67371878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).