5-(4-fluorophenyl)-6,6-dimethyl-8-(oxan-4-ylmethyl)-1,7-dihydropyrazolo[4,3-g]quinoxaline

C23H27FN4O — CID 178011982

IUPAC5-(4-fluorophenyl)-6,6-dimethyl-8-(oxan-4-ylmethyl)-1,7-dihydropyrazolo[4,3-g]quinoxaline
SMILESCC1(C)CN(CC2CCOCC2)c2cc3[nH]ncc3cc2N1c1ccc(F)cc1
InChIInChI=1S/C23H27FN4O/c1-23(2)15-27(14-16-7-9-29-10-8-16)21-12-20-17(13-25-26-20)11-22(21)28(23)19-5-3-18(24)4-6-19/h3-6,11-13,16H,7-10,14-15H2,1-2H3,(H,25,26)
InChIKeyNZNWLQRMIAPRER-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.87
Rot. Bonds3

About 5-(4-fluorophenyl)-6,6-dimethyl-8-(oxan-4-ylmethyl)-1,7-dihydropyrazolo[4,3-g]quinoxaline

5-(4-fluorophenyl)-6,6-dimethyl-8-(oxan-4-ylmethyl)-1,7-dihydropyrazolo[4,3-g]quinoxaline (PubChem CID 178011982) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6,6-dimethyl-8-(oxan-4-ylmethyl)-1,7-dihydropyrazolo[4,3-g]quinoxaline.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6,6-dimethyl-8-(oxan-4-ylmethyl)-1,7-dihydropyrazolo[4,3-g]quinoxaline
PubChem CID178011982
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name5-(4-fluorophenyl)-6,6-dimethyl-8-(oxan-4-ylmethyl)-1,7-dihydropyrazolo[4,3-g]quinoxaline
SMILESCC1(C)CN(CC2CCOCC2)c2cc3[nH]ncc3cc2N1c1ccc(F)cc1
InChIInChI=1S/C23H27FN4O/c1-23(2)15-27(14-16-7-9-29-10-8-16)21-12-20-17(13-25-26-20)11-22(21)28(23)19-5-3-18(24)4-6-19/h3-6,11-13,16H,7-10,14-15H2,1-2H3,(H,25,26)
InChIKeyNZNWLQRMIAPRER-UHFFFAOYSA-N
XLogP4.87
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-6,6-dimethyl-8-(oxan-4-ylmethyl)-1,7-dihydropyrazolo[4,3-g]quinoxaline 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 5-(4-fluorophenyl)-6,6-dimethyl-8-(oxan-4-ylmethyl)-1,7-dihydropyrazolo[4,3-g]quinoxaline?
The IUPAC name of 5-(4-fluorophenyl)-6,6-dimethyl-8-(oxan-4-ylmethyl)-1,7-dihydropyrazolo[4,3-g]quinoxaline (CID 178011982) is 5-(4-fluorophenyl)-6,6-dimethyl-8-(oxan-4-ylmethyl)-1,7-dihydropyrazolo[4,3-g]quinoxaline.
What is the SMILES notation for 5-(4-fluorophenyl)-6,6-dimethyl-8-(oxan-4-ylmethyl)-1,7-dihydropyrazolo[4,3-g]quinoxaline?
The canonical SMILES for 5-(4-fluorophenyl)-6,6-dimethyl-8-(oxan-4-ylmethyl)-1,7-dihydropyrazolo[4,3-g]quinoxaline is CC1(C)CN(CC2CCOCC2)c2cc3[nH]ncc3cc2N1c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6,6-dimethyl-8-(oxan-4-ylmethyl)-1,7-dihydropyrazolo[4,3-g]quinoxaline?
The InChIKey is NZNWLQRMIAPRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-23(2)15-27(14-16-7-9-29-10-8-16)21-12-20-17(13-25-26-20)11-22(21)28(23)19-5-3-18(24)4-6-19/h3-6,11-13,16H,7-10,14-15H2,1-2H3,(H,25,26).
What are the key properties of 5-(4-fluorophenyl)-6,6-dimethyl-8-(oxan-4-ylmethyl)-1,7-dihydropyrazolo[4,3-g]quinoxaline?
5-(4-fluorophenyl)-6,6-dimethyl-8-(oxan-4-ylmethyl)-1,7-dihydropyrazolo[4,3-g]quinoxaline has a molecular weight of 394.49 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6,6-dimethyl-8-(oxan-4-ylmethyl)-1,7-dihydropyrazolo[4,3-g]quinoxaline is sourced from PubChem (CID 178011982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).