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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Related Compounds

2-methyl-1-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrrole-3-carboxylic acid
CID 56670245
9-(pyridin-3-ylmethyl)-2-[6-(trifluoromethoxy)benzimidazol-1-yl]-7H-purin-8-one
CID 59726930
1-[5-nitro-1-(pyridin-3-ylmethyl)-2H-pyrimidin-2-yl]-5-(trifluoromethoxy)benzimidazole
CID 151770681
5-[(4-methoxyphenyl)methyl]-9-nitroimidazo[1,5-a]quinoxalin-4-one
CID 11221830
1'-(pyridin-3-ylmethyl)-6-(trifluoromethoxy)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59263507
(6R)-6-hydroxy-1-(pyridin-3-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepan-2-one
CID 26138380
2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 104735698
7-methyl-5-[(pyridin-3-ylmethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 11626369
6-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopropyl-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 71762071
N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 39559682
2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 150776765
2-[5-methoxy-2-methyl-1-(pyridin-3-ylmethyl)indol-3-yl]acetic acid
CID 23368789

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).