3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

C21H23N7O2 — CID 67887449

IUPAC3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(=O)N1CCCC1c1cnnn1-c1ncn2c1c(=O)n(C(C)C)c1ccccc12
InChIInChI=1S/C21H23N7O2/c1-13(2)27-17-8-5-4-7-15(17)26-12-22-20(19(26)21(27)30)28-18(11-23-24-28)16-9-6-10-25(16)14(3)29/h4-5,7-8,11-13,16H,6,9-10H2,1-3H3
InChIKeyUNGIHLFQLUZMOF-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.49
Rot. Bonds3

About 3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 67887449) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
PubChem CID67887449
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(=O)N1CCCC1c1cnnn1-c1ncn2c1c(=O)n(C(C)C)c1ccccc12
InChIInChI=1S/C21H23N7O2/c1-13(2)27-17-8-5-4-7-15(17)26-12-22-20(19(26)21(27)30)28-18(11-23-24-28)16-9-6-10-25(16)14(3)29/h4-5,7-8,11-13,16H,6,9-10H2,1-3H3
InChIKeyUNGIHLFQLUZMOF-UHFFFAOYSA-N
XLogP2.49
TPSA90.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (CID 67887449) is 3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is CC(=O)N1CCCC1c1cnnn1-c1ncn2c1c(=O)n(C(C)C)c1ccccc12.
What is the InChIKey of 3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is UNGIHLFQLUZMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-13(2)27-17-8-5-4-7-15(17)26-12-22-20(19(26)21(27)30)28-18(11-23-24-28)16-9-6-10-25(16)14(3)29/h4-5,7-8,11-13,16H,6,9-10H2,1-3H3.
What are the key properties of 3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 405.46 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67887449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).