2-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine

C23H22FN3O — CID 162074282

IUPAC2-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine
SMILESCc1cc2cc(-c3cc(F)c4cc(C5CCCCC5)nnc4c3)oc2c(C)n1
InChIInChI=1S/C23H22FN3O/c1-13-8-17-11-22(28-23(17)14(2)25-13)16-9-19(24)18-12-20(26-27-21(18)10-16)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3
InChIKeyVADGHXXLRMUDAW-UHFFFAOYSA-N
MW375.45 g/mol
LogP6.24
Rot. Bonds2

About 2-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine

2-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine (PubChem CID 162074282) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine.

Molecular Properties

Compound Name2-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine
PubChem CID162074282
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name2-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine
SMILESCc1cc2cc(-c3cc(F)c4cc(C5CCCCC5)nnc4c3)oc2c(C)n1
InChIInChI=1S/C23H22FN3O/c1-13-8-17-11-22(28-23(17)14(2)25-13)16-9-19(24)18-12-20(26-27-21(18)10-16)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3
InChIKeyVADGHXXLRMUDAW-UHFFFAOYSA-N
XLogP6.24
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine 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-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine?
The IUPAC name of 2-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine (CID 162074282) is 2-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine.
What is the SMILES notation for 2-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine?
The canonical SMILES for 2-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine is Cc1cc2cc(-c3cc(F)c4cc(C5CCCCC5)nnc4c3)oc2c(C)n1.
What is the InChIKey of 2-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine?
The InChIKey is VADGHXXLRMUDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-13-8-17-11-22(28-23(17)14(2)25-13)16-9-19(24)18-12-20(26-27-21(18)10-16)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3.
What are the key properties of 2-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine?
2-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine has a molecular weight of 375.45 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-5-fluorocinnolin-7-yl)-5,7-dimethylfuro[2,3-c]pyridine is sourced from PubChem (CID 162074282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).