1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone

C20H20FN5O — CID 161345382

IUPAC1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone
SMILESCN1CCC(F)(C(=O)Cc2cc3nc(-c4cnccn4)ccc3cn2)CC1
InChIInChI=1S/C20H20FN5O/c1-26-8-4-20(21,5-9-26)19(27)11-15-10-17-14(12-24-15)2-3-16(25-17)18-13-22-6-7-23-18/h2-3,6-7,10,12-13H,4-5,8-9,11H2,1H3
InChIKeyVNFJWKNNXNXTQX-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.63
Rot. Bonds4

About 1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone

1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone (PubChem CID 161345382) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone
PubChem CID161345382
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone
SMILESCN1CCC(F)(C(=O)Cc2cc3nc(-c4cnccn4)ccc3cn2)CC1
InChIInChI=1S/C20H20FN5O/c1-26-8-4-20(21,5-9-26)19(27)11-15-10-17-14(12-24-15)2-3-16(25-17)18-13-22-6-7-23-18/h2-3,6-7,10,12-13H,4-5,8-9,11H2,1H3
InChIKeyVNFJWKNNXNXTQX-UHFFFAOYSA-N
XLogP2.63
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone with MolForge

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Related Compounds

1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 158256787
1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one
CID 162101609
1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 157134391
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-fluoro-1-propan-2-ylpiperidin-4-yl)ethanone
CID 148784904
1-(1-ethyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 148650012
1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 159169717
1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one
CID 159638951
2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 158912241
1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 162264664
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-fluoro-1-(oxetan-2-ylmethyl)piperidin-4-yl]ethanone
CID 147669281
1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone
CID 159348994
1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one
CID 159595105

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone?
The IUPAC name of 1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone (CID 161345382) is 1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone.
What is the SMILES notation for 1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone?
The canonical SMILES for 1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone is CN1CCC(F)(C(=O)Cc2cc3nc(-c4cnccn4)ccc3cn2)CC1.
What is the InChIKey of 1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone?
The InChIKey is VNFJWKNNXNXTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-26-8-4-20(21,5-9-26)19(27)11-15-10-17-14(12-24-15)2-3-16(25-17)18-13-22-6-7-23-18/h2-3,6-7,10,12-13H,4-5,8-9,11H2,1H3.
What are the key properties of 1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone?
1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone has a molecular weight of 365.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone is sourced from PubChem (CID 161345382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).