3-[2-(3-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine

C28H24FN5O — CID 154604807

IUPAC3-[2-(3-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
SMILESCC(C)(COc1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ncccc1F
InChIInChI=1S/C28H24FN5O/c1-28(2,25-21(29)11-7-15-32-25)17-35-27-26(30)33-23(18-8-4-3-5-9-18)24(34-27)20-12-13-22-19(16-20)10-6-14-31-22/h3-16H,17H2,1-2H3,(H2,30,33)
InChIKeyROJJJDZYHYTNFN-UHFFFAOYSA-N
MW465.53 g/mol
LogP5.83
Rot. Bonds6

About 3-[2-(3-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine

3-[2-(3-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine (PubChem CID 154604807) has the molecular formula C28H24FN5O and a molecular weight of 465.53 g/mol. Its IUPAC name is 3-[2-(3-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-[2-(3-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
PubChem CID154604807
Molecular FormulaC28H24FN5O
Molecular Weight465.53 g/mol
Exact Mass465.20
IUPAC Name3-[2-(3-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
SMILESCC(C)(COc1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ncccc1F
InChIInChI=1S/C28H24FN5O/c1-28(2,25-21(29)11-7-15-32-25)17-35-27-26(30)33-23(18-8-4-3-5-9-18)24(34-27)20-12-13-22-19(16-20)10-6-14-31-22/h3-16H,17H2,1-2H3,(H2,30,33)
InChIKeyROJJJDZYHYTNFN-UHFFFAOYSA-N
XLogP5.83
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.53
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine
CID 54670399
2-[3-[3-(6-Methyl-3-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58548107
2-[3-(3-Quinolin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58548113
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-[2-(3-fluorophenyl)ethynyl]-4-pyridinyl]methoxy]pyrazin-2-amine
CID 156101511
5-[5-[6-[(2R)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine
CID 57390290
5-[5-[6-[(2S)-2-amino-3,3-dimethylbutoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine
CID 57400787
2-Pyridinamine, 5-[5-[6-[(2S)-2-amino-2-phenylethoxy]-2-pyrazinyl]-1H-indol-3-yl]-6-fluoro-
CID 57402547
2-[3-(3-Pyridin-2-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58547818
2-[3-[3-(4-Fluoro-2-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 54670951
2-(4-((3-(4-Methoxypiperidin-1-yl)pyrazin-2-yl)oxy)piperidin-1-yl)quinoline
CID 54671240
4-[3-(1-Quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]morpholine
CID 58547691
2-[3-[3-(3-Methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58547901

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
The IUPAC name of 3-[2-(3-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine (CID 154604807) is 3-[2-(3-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine.
What is the SMILES notation for 3-[2-(3-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
The canonical SMILES for 3-[2-(3-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine is CC(C)(COc1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ncccc1F.
What is the InChIKey of 3-[2-(3-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
The InChIKey is ROJJJDZYHYTNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O/c1-28(2,25-21(29)11-7-15-32-25)17-35-27-26(30)33-23(18-8-4-3-5-9-18)24(34-27)20-12-13-22-19(16-20)10-6-14-31-22/h3-16H,17H2,1-2H3,(H2,30,33).
What are the key properties of 3-[2-(3-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
3-[2-(3-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine has a molecular weight of 465.53 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine is sourced from PubChem (CID 154604807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).