2-[6-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(4-fluorophenyl)ethanone

C23H19FN6O — CID 159080195

IUPAC2-[6-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(4-fluorophenyl)ethanone
SMILESNC1CN(c2cncc(-c3cc4cc(CC(=O)c5ccc(F)cc5)ncc4cn3)n2)C1
InChIInChI=1S/C23H19FN6O/c24-17-3-1-14(2-4-17)22(31)7-19-5-15-6-20(28-9-16(15)8-27-19)21-10-26-11-23(29-21)30-12-18(25)13-30/h1-6,8-11,18H,7,12-13,25H2
InChIKeyKATLFSRWDUMYIV-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.80
Rot. Bonds5

About 2-[6-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(4-fluorophenyl)ethanone

2-[6-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 159080195) has the molecular formula C23H19FN6O and a molecular weight of 414.44 g/mol. Its IUPAC name is 2-[6-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[6-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(4-fluorophenyl)ethanone
PubChem CID159080195
Molecular FormulaC23H19FN6O
Molecular Weight414.44 g/mol
Exact Mass414.16
IUPAC Name2-[6-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(4-fluorophenyl)ethanone
SMILESNC1CN(c2cncc(-c3cc4cc(CC(=O)c5ccc(F)cc5)ncc4cn3)n2)C1
InChIInChI=1S/C23H19FN6O/c24-17-3-1-14(2-4-17)22(31)7-19-5-15-6-20(28-9-16(15)8-27-19)21-10-26-11-23(29-21)30-12-18(25)13-30/h1-6,8-11,18H,7,12-13,25H2
InChIKeyKATLFSRWDUMYIV-UHFFFAOYSA-N
XLogP2.80
TPSA97.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorophenyl)-2-[6-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone
CID 160749379
1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone
CID 147863528
2-[6-[6-(dimethylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 158985268
1-[2-(3-aminoazetidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 153026027
1-(4-fluorophenyl)-2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 153123482
2-[6-[5-(dimethylamino)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 159696630
[1-[6-[3-[(4-fluorobenzoyl)amino]isoquinolin-6-yl]pyrazin-2-yl]azetidin-3-yl]carbamic acid
CID 138586296
2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone
CID 18987668
1-[6-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137040202
2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide
CID 157489149
1-[6-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 136947352
1-(5-fluoro-2-pyridinyl)azetidin-3-amine
CID 63759054

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[6-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(4-fluorophenyl)ethanone (CID 159080195) is 2-[6-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[6-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[6-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(4-fluorophenyl)ethanone is NC1CN(c2cncc(-c3cc4cc(CC(=O)c5ccc(F)cc5)ncc4cn3)n2)C1.
What is the InChIKey of 2-[6-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is KATLFSRWDUMYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O/c24-17-3-1-14(2-4-17)22(31)7-19-5-15-6-20(28-9-16(15)8-27-19)21-10-26-11-23(29-21)30-12-18(25)13-30/h1-6,8-11,18H,7,12-13,25H2.
What are the key properties of 2-[6-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(4-fluorophenyl)ethanone?
2-[6-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 414.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 159080195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).