3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine

C19H15BrN4O2 — CID 90134293

IUPAC3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine
SMILESCc1cc(Oc2nccc3occc23)ccc1-c1nc(N)c(Br)nc1C
InChIInChI=1S/C19H15BrN4O2/c1-10-9-12(26-19-14-6-8-25-15(14)5-7-22-19)3-4-13(10)16-11(2)23-17(20)18(21)24-16/h3-9H,1-2H3,(H2,21,24)
InChIKeyFJLNHSVUMXZWRZ-UHFFFAOYSA-N
MW411.26 g/mol
LogP5.04
Rot. Bonds3

About 3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine

3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine (PubChem CID 90134293) has the molecular formula C19H15BrN4O2 and a molecular weight of 411.26 g/mol. Its IUPAC name is 3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine.

Molecular Properties

Compound Name3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine
PubChem CID90134293
Molecular FormulaC19H15BrN4O2
Molecular Weight411.26 g/mol
Exact Mass410.04
IUPAC Name3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine
SMILESCc1cc(Oc2nccc3occc23)ccc1-c1nc(N)c(Br)nc1C
InChIInChI=1S/C19H15BrN4O2/c1-10-9-12(26-19-14-6-8-25-15(14)5-7-22-19)3-4-13(10)16-11(2)23-17(20)18(21)24-16/h3-9H,1-2H3,(H2,21,24)
InChIKeyFJLNHSVUMXZWRZ-UHFFFAOYSA-N
XLogP5.04
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.26
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine?
The IUPAC name of 3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine (CID 90134293) is 3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine.
What is the SMILES notation for 3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine?
The canonical SMILES for 3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine is Cc1cc(Oc2nccc3occc23)ccc1-c1nc(N)c(Br)nc1C.
What is the InChIKey of 3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine?
The InChIKey is FJLNHSVUMXZWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O2/c1-10-9-12(26-19-14-6-8-25-15(14)5-7-22-19)3-4-13(10)16-11(2)23-17(20)18(21)24-16/h3-9H,1-2H3,(H2,21,24).
What are the key properties of 3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine?
3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine has a molecular weight of 411.26 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine is sourced from PubChem (CID 90134293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).