1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone

C20H21FN4O — CID 158256787

IUPAC1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
SMILESCn1cncc1-c1ccc2cnc(CC(=O)C3(F)CCCCC3)cc2n1
InChIInChI=1S/C20H21FN4O/c1-25-13-22-12-18(25)16-6-5-14-11-23-15(9-17(14)24-16)10-19(26)20(21)7-3-2-4-8-20/h5-6,9,11-13H,2-4,7-8,10H2,1H3
InChIKeyGHJOTHZTDMWPAT-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.81
Rot. Bonds4

About 1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone

1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone (PubChem CID 158256787) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
PubChem CID158256787
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
SMILESCn1cncc1-c1ccc2cnc(CC(=O)C3(F)CCCCC3)cc2n1
InChIInChI=1S/C20H21FN4O/c1-25-13-22-12-18(25)16-6-5-14-11-23-15(9-17(14)24-16)10-19(26)20(21)7-3-2-4-8-20/h5-6,9,11-13H,2-4,7-8,10H2,1H3
InChIKeyGHJOTHZTDMWPAT-UHFFFAOYSA-N
XLogP3.81
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone
CID 161345382
1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 159169717
1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 157134391
1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone
CID 149124301
1-cyclopropyl-N-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]pyrazole-4-carboxamide
CID 138588243
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-fluoro-1-propan-2-ylpiperidin-4-yl)ethanone
CID 148784904
1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]propan-2-one
CID 153087123
1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one
CID 162101609
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 162233590
2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone
CID 159636960
1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one
CID 159638951
1-(1-ethyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 148650012

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
The IUPAC name of 1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone (CID 158256787) is 1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone.
What is the SMILES notation for 1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
The canonical SMILES for 1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone is Cn1cncc1-c1ccc2cnc(CC(=O)C3(F)CCCCC3)cc2n1.
What is the InChIKey of 1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
The InChIKey is GHJOTHZTDMWPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-25-13-22-12-18(25)16-6-5-14-11-23-15(9-17(14)24-16)10-19(26)20(21)7-3-2-4-8-20/h5-6,9,11-13H,2-4,7-8,10H2,1H3.
What are the key properties of 1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone has a molecular weight of 352.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone is sourced from PubChem (CID 158256787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).