2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole

C22H13FN6O — CID 139228838

IUPAC2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESFc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1nnc(-c2cccnc2)o1
InChIInChI=1S/C22H13FN6O/c23-14-7-8-18-15(10-14)20-21(26-17-6-2-1-5-16(17)25-20)29(18)12-19-27-28-22(30-19)13-4-3-9-24-11-13/h1-11H,12H2
InChIKeyTYEITWJFWKAOMN-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.37
Rot. Bonds3

About 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole

2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 139228838) has the molecular formula C22H13FN6O and a molecular weight of 396.39 g/mol. Its IUPAC name is 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID139228838
Molecular FormulaC22H13FN6O
Molecular Weight396.39 g/mol
Exact Mass396.11
IUPAC Name2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESFc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1nnc(-c2cccnc2)o1
InChIInChI=1S/C22H13FN6O/c23-14-7-8-18-15(10-14)20-21(26-17-6-2-1-5-16(17)25-20)29(18)12-19-27-28-22(30-19)13-4-3-9-24-11-13/h1-11H,12H2
InChIKeyTYEITWJFWKAOMN-UHFFFAOYSA-N
XLogP4.37
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 139228838) is 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole is Fc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1nnc(-c2cccnc2)o1.
What is the InChIKey of 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is TYEITWJFWKAOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN6O/c23-14-7-8-18-15(10-14)20-21(26-17-6-2-1-5-16(17)25-20)29(18)12-19-27-28-22(30-19)13-4-3-9-24-11-13/h1-11H,12H2.
What are the key properties of 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 396.39 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 139228838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).