5-(pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxalin-4-one

C17H11F3N4O2 — CID 171355597

IUPAC5-(pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2cncn2c2cc(OC(F)(F)F)ccc2n1Cc1cccnc1
InChIInChI=1S/C17H11F3N4O2/c18-17(19,20)26-12-3-4-13-14(6-12)24-10-22-8-15(24)16(25)23(13)9-11-2-1-5-21-7-11/h1-8,10H,9H2
InChIKeyGXWRFGZBDDWUAA-UHFFFAOYSA-N
MW360.30 g/mol
LogP2.99
Rot. Bonds3

About 5-(pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxalin-4-one

5-(pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 171355597) has the molecular formula C17H11F3N4O2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 5-(pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-(pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxalin-4-one
PubChem CID171355597
Molecular FormulaC17H11F3N4O2
Molecular Weight360.30 g/mol
Exact Mass360.08
IUPAC Name5-(pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2cncn2c2cc(OC(F)(F)F)ccc2n1Cc1cccnc1
InChIInChI=1S/C17H11F3N4O2/c18-17(19,20)26-12-3-4-13-14(6-12)24-10-22-8-15(24)16(25)23(13)9-11-2-1-5-21-7-11/h1-8,10H,9H2
InChIKeyGXWRFGZBDDWUAA-UHFFFAOYSA-N
XLogP2.99
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 5-(pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxalin-4-one (CID 171355597) is 5-(pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 5-(pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 5-(pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxalin-4-one is O=c1c2cncn2c2cc(OC(F)(F)F)ccc2n1Cc1cccnc1.
What is the InChIKey of 5-(pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is GXWRFGZBDDWUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2/c18-17(19,20)26-12-3-4-13-14(6-12)24-10-22-8-15(24)16(25)23(13)9-11-2-1-5-21-7-11/h1-8,10H,9H2.
What are the key properties of 5-(pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxalin-4-one?
5-(pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 360.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 171355597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).