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

C28H24FN5O — CID 154604332

IUPAC3-[2-(5-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
SMILESCC(C)(COc1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccc(F)cn1
InChIInChI=1S/C28H24FN5O/c1-28(2,23-13-11-21(29)16-32-23)17-35-27-26(30)33-24(18-7-4-3-5-8-18)25(34-27)20-10-12-22-19(15-20)9-6-14-31-22/h3-16H,17H2,1-2H3,(H2,30,33)
InChIKeyAJEJOMJEQJSRJU-UHFFFAOYSA-N
MW465.53 g/mol
LogP5.83
Rot. Bonds6

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

3-[2-(5-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine (PubChem CID 154604332) has the molecular formula C28H24FN5O and a molecular weight of 465.53 g/mol. Its IUPAC name is 3-[2-(5-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-[2-(5-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
PubChem CID154604332
Molecular FormulaC28H24FN5O
Molecular Weight465.53 g/mol
Exact Mass465.20
IUPAC Name3-[2-(5-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
SMILESCC(C)(COc1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccc(F)cn1
InChIInChI=1S/C28H24FN5O/c1-28(2,23-13-11-21(29)16-32-23)17-35-27-26(30)33-24(18-7-4-3-5-8-18)25(34-27)20-10-12-22-19(15-20)9-6-14-31-22/h3-16H,17H2,1-2H3,(H2,30,33)
InChIKeyAJEJOMJEQJSRJU-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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
The IUPAC name of 3-[2-(5-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine (CID 154604332) is 3-[2-(5-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine.
What is the SMILES notation for 3-[2-(5-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
The canonical SMILES for 3-[2-(5-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine is CC(C)(COc1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccc(F)cn1.
What is the InChIKey of 3-[2-(5-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
The InChIKey is AJEJOMJEQJSRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O/c1-28(2,23-13-11-21(29)16-32-23)17-35-27-26(30)33-24(18-7-4-3-5-8-18)25(34-27)20-10-12-22-19(15-20)9-6-14-31-22/h3-16H,17H2,1-2H3,(H2,30,33).
What are the key properties of 3-[2-(5-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
3-[2-(5-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-(5-fluoro-2-pyridinyl)-2-methylpropoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine is sourced from PubChem (CID 154604332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).