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

C27H22FN5O — CID 154604437

IUPAC3-[2-(5-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
SMILESCC(COc1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccc(F)cn1
InChIInChI=1S/C27H22FN5O/c1-17(22-12-10-21(28)15-31-22)16-34-27-26(29)32-24(18-6-3-2-4-7-18)25(33-27)20-9-11-23-19(14-20)8-5-13-30-23/h2-15,17H,16H2,1H3,(H2,29,32)
InChIKeyJUCTXRWYLKVORV-UHFFFAOYSA-N
MW451.51 g/mol
LogP5.66
Rot. Bonds6

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

3-[2-(5-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine (PubChem CID 154604437) has the molecular formula C27H22FN5O and a molecular weight of 451.51 g/mol. Its IUPAC name is 3-[2-(5-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-[2-(5-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
PubChem CID154604437
Molecular FormulaC27H22FN5O
Molecular Weight451.51 g/mol
Exact Mass451.18
IUPAC Name3-[2-(5-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
SMILESCC(COc1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccc(F)cn1
InChIInChI=1S/C27H22FN5O/c1-17(22-12-10-21(28)15-31-22)16-34-27-26(29)32-24(18-6-3-2-4-7-18)25(33-27)20-9-11-23-19(14-20)8-5-13-30-23/h2-15,17H,16H2,1H3,(H2,29,32)
InChIKeyJUCTXRWYLKVORV-UHFFFAOYSA-N
XLogP5.66
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.51
LogP ≤ 55.66
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)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
The IUPAC name of 3-[2-(5-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine (CID 154604437) is 3-[2-(5-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine.
What is the SMILES notation for 3-[2-(5-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
The canonical SMILES for 3-[2-(5-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine is CC(COc1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccc(F)cn1.
What is the InChIKey of 3-[2-(5-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
The InChIKey is JUCTXRWYLKVORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O/c1-17(22-12-10-21(28)15-31-22)16-34-27-26(29)32-24(18-6-3-2-4-7-18)25(33-27)20-9-11-23-19(14-20)8-5-13-30-23/h2-15,17H,16H2,1H3,(H2,29,32).
What are the key properties of 3-[2-(5-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
3-[2-(5-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine has a molecular weight of 451.51 g/mol, XLogP of 5.66, 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)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine is sourced from PubChem (CID 154604437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).