7-fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine

C22H23F4N3O — CID 72698088

IUPAC7-fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine
SMILESFc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1cccnc12
InChIInChI=1S/C22H23F4N3O/c23-18-6-1-4-16-19-17(5-2-10-27-19)21(28-20(16)18)30-14-15-7-12-29(13-8-15)11-3-9-22(24,25)26/h1-2,4-6,10,15H,3,7-9,11-14H2
InChIKeyYKBQHBXRXWGQIZ-UHFFFAOYSA-N
MW421.44 g/mol
LogP5.36
Rot. Bonds6

About 7-fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine

7-fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine (PubChem CID 72698088) has the molecular formula C22H23F4N3O and a molecular weight of 421.44 g/mol. Its IUPAC name is 7-fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine.

Molecular Properties

Compound Name7-fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine
PubChem CID72698088
Molecular FormulaC22H23F4N3O
Molecular Weight421.44 g/mol
Exact Mass421.18
IUPAC Name7-fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine
SMILESFc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1cccnc12
InChIInChI=1S/C22H23F4N3O/c23-18-6-1-4-16-19-17(5-2-10-27-19)21(28-20(16)18)30-14-15-7-12-29(13-8-15)11-3-9-22(24,25)26/h1-2,4-6,10,15H,3,7-9,11-14H2
InChIKeyYKBQHBXRXWGQIZ-UHFFFAOYSA-N
XLogP5.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.44
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine 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 7-fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine?
The IUPAC name of 7-fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine (CID 72698088) is 7-fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine.
What is the SMILES notation for 7-fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine?
The canonical SMILES for 7-fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine is Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1cccnc12.
What is the InChIKey of 7-fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine?
The InChIKey is YKBQHBXRXWGQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N3O/c23-18-6-1-4-16-19-17(5-2-10-27-19)21(28-20(16)18)30-14-15-7-12-29(13-8-15)11-3-9-22(24,25)26/h1-2,4-6,10,15H,3,7-9,11-14H2.
What are the key properties of 7-fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine?
7-fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine has a molecular weight of 421.44 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine is sourced from PubChem (CID 72698088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).