N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine

C17H15BrN4O2 — CID 133300809

IUPACN-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine
SMILESCC(Nc1ccc2nccnc2n1)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C17H15BrN4O2/c1-10(11-8-14-15(9-12(11)18)24-7-6-23-14)21-16-3-2-13-17(22-16)20-5-4-19-13/h2-5,8-10H,6-7H2,1H3,(H,20,21,22)
InChIKeyMPYGOOFNBQWGHL-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.73
Rot. Bonds3

About N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine

N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine (PubChem CID 133300809) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine
PubChem CID133300809
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC NameN-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine
SMILESCC(Nc1ccc2nccnc2n1)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C17H15BrN4O2/c1-10(11-8-14-15(9-12(11)18)24-7-6-23-14)21-16-3-2-13-17(22-16)20-5-4-19-13/h2-5,8-10H,6-7H2,1H3,(H,20,21,22)
InChIKeyMPYGOOFNBQWGHL-UHFFFAOYSA-N
XLogP3.73
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine (CID 133300809) is N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine is CC(Nc1ccc2nccnc2n1)c1cc2c(cc1Br)OCCO2.
What is the InChIKey of N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is MPYGOOFNBQWGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-10(11-8-14-15(9-12(11)18)24-7-6-23-14)21-16-3-2-13-17(22-16)20-5-4-19-13/h2-5,8-10H,6-7H2,1H3,(H,20,21,22).
What are the key properties of N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine?
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 387.24 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 133300809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).