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

C27H22FN5O — CID 154604769

IUPAC3-[2-(3-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
SMILESCC(COc1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ncccc1F
InChIInChI=1S/C27H22FN5O/c1-17(23-21(28)10-6-14-31-23)16-34-27-26(29)32-24(18-7-3-2-4-8-18)25(33-27)20-11-12-22-19(15-20)9-5-13-30-22/h2-15,17H,16H2,1H3,(H2,29,32)
InChIKeyLDWDBXDWVBELGV-UHFFFAOYSA-N
MW451.51 g/mol
LogP5.66
Rot. Bonds6

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

3-[2-(3-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine (PubChem CID 154604769) has the molecular formula C27H22FN5O and a molecular weight of 451.51 g/mol. Its IUPAC name is 3-[2-(3-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-[2-(3-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
PubChem CID154604769
Molecular FormulaC27H22FN5O
Molecular Weight451.51 g/mol
Exact Mass451.18
IUPAC Name3-[2-(3-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
SMILESCC(COc1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ncccc1F
InChIInChI=1S/C27H22FN5O/c1-17(23-21(28)10-6-14-31-23)16-34-27-26(29)32-24(18-7-3-2-4-8-18)25(33-27)20-11-12-22-19(15-20)9-5-13-30-22/h2-15,17H,16H2,1H3,(H2,29,32)
InChIKeyLDWDBXDWVBELGV-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-(3-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
The IUPAC name of 3-[2-(3-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine (CID 154604769) is 3-[2-(3-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine.
What is the SMILES notation for 3-[2-(3-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
The canonical SMILES for 3-[2-(3-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine is CC(COc1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ncccc1F.
What is the InChIKey of 3-[2-(3-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
The InChIKey is LDWDBXDWVBELGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O/c1-17(23-21(28)10-6-14-31-23)16-34-27-26(29)32-24(18-7-3-2-4-8-18)25(33-27)20-11-12-22-19(15-20)9-5-13-30-22/h2-15,17H,16H2,1H3,(H2,29,32).
What are the key properties of 3-[2-(3-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
3-[2-(3-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-(3-fluoro-2-pyridinyl)propoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine is sourced from PubChem (CID 154604769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).