3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

C21H21FN6O2 — CID 67889479

IUPAC3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(-n3nncc3C3CC3)ncn2c2ccc(F)cc2n1CC1CCCCO1
InChIInChI=1S/C21H21FN6O2/c22-14-6-7-16-17(9-14)26(11-15-3-1-2-8-30-15)21(29)19-20(23-12-27(16)19)28-18(10-24-25-28)13-4-5-13/h6-7,9-10,12-13,15H,1-5,8,11H2
InChIKeyWXEVASPRVBMIIV-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.82
Rot. Bonds4

About 3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67889479) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is 3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID67889479
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Name3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(-n3nncc3C3CC3)ncn2c2ccc(F)cc2n1CC1CCCCO1
InChIInChI=1S/C21H21FN6O2/c22-14-6-7-16-17(9-14)26(11-15-3-1-2-8-30-15)21(29)19-20(23-12-27(16)19)28-18(10-24-25-28)13-4-5-13/h6-7,9-10,12-13,15H,1-5,8,11H2
InChIKeyWXEVASPRVBMIIV-UHFFFAOYSA-N
XLogP2.82
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (CID 67889479) is 3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is O=c1c2c(-n3nncc3C3CC3)ncn2c2ccc(F)cc2n1CC1CCCCO1.
What is the InChIKey of 3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is WXEVASPRVBMIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c22-14-6-7-16-17(9-14)26(11-15-3-1-2-8-30-15)21(29)19-20(23-12-27(16)19)28-18(10-24-25-28)13-4-5-13/h6-7,9-10,12-13,15H,1-5,8,11H2.
What are the key properties of 3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 408.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67889479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).