7-(3,5-dimethylpyrazole-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one

C22H17N5O2 — CID 68705809

IUPAC7-(3,5-dimethylpyrazole-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc(C)n(C(=O)c2ccc3c(c2)[nH]c(=O)c2cnc(-c4ccccc4)n23)n1
InChIInChI=1S/C22H17N5O2/c1-13-10-14(2)27(25-13)22(29)16-8-9-18-17(11-16)24-21(28)19-12-23-20(26(18)19)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,24,28)
InChIKeyLGFRZGRWLTVIGR-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.34
Rot. Bonds2

About 7-(3,5-dimethylpyrazole-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one

7-(3,5-dimethylpyrazole-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 68705809) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 7-(3,5-dimethylpyrazole-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(3,5-dimethylpyrazole-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID68705809
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name7-(3,5-dimethylpyrazole-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc(C)n(C(=O)c2ccc3c(c2)[nH]c(=O)c2cnc(-c4ccccc4)n23)n1
InChIInChI=1S/C22H17N5O2/c1-13-10-14(2)27(25-13)22(29)16-8-9-18-17(11-16)24-21(28)19-12-23-20(26(18)19)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,24,28)
InChIKeyLGFRZGRWLTVIGR-UHFFFAOYSA-N
XLogP3.34
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylpyrazole-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-(3,5-dimethylpyrazole-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one (CID 68705809) is 7-(3,5-dimethylpyrazole-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-(3,5-dimethylpyrazole-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-(3,5-dimethylpyrazole-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one is Cc1cc(C)n(C(=O)c2ccc3c(c2)[nH]c(=O)c2cnc(-c4ccccc4)n23)n1.
What is the InChIKey of 7-(3,5-dimethylpyrazole-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is LGFRZGRWLTVIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-13-10-14(2)27(25-13)22(29)16-8-9-18-17(11-16)24-21(28)19-12-23-20(26(18)19)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,24,28).
What are the key properties of 7-(3,5-dimethylpyrazole-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(3,5-dimethylpyrazole-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 383.41 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylpyrazole-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 68705809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).