7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine

C19H14BrN5 — CID 1111682

IUPAC7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine
SMILESBrc1cnc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1
InChIInChI=1S/C19H14BrN5/c20-13-11-16-17(21-12-13)25-19(23-15-9-5-2-6-10-15)18(24-16)22-14-7-3-1-4-8-14/h1-12H,(H,22,24)(H,21,23,25)
InChIKeyKXYFWTAINIZEEP-UHFFFAOYSA-N
MW392.26 g/mol
LogP5.27
Rot. Bonds4

About 7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine

7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine (PubChem CID 1111682) has the molecular formula C19H14BrN5 and a molecular weight of 392.26 g/mol. Its IUPAC name is 7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine.

Molecular Properties

Compound Name7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine
PubChem CID1111682
Molecular FormulaC19H14BrN5
Molecular Weight392.26 g/mol
Exact Mass391.04
IUPAC Name7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine
SMILESBrc1cnc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1
InChIInChI=1S/C19H14BrN5/c20-13-11-16-17(21-12-13)25-19(23-15-9-5-2-6-10-15)18(24-16)22-14-7-3-1-4-8-14/h1-12H,(H,22,24)(H,21,23,25)
InChIKeyKXYFWTAINIZEEP-UHFFFAOYSA-N
XLogP5.27
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.26
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine?
The IUPAC name of 7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine (CID 1111682) is 7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine.
What is the SMILES notation for 7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine?
The canonical SMILES for 7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine is Brc1cnc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1.
What is the InChIKey of 7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine?
The InChIKey is KXYFWTAINIZEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5/c20-13-11-16-17(21-12-13)25-19(23-15-9-5-2-6-10-15)18(24-16)22-14-7-3-1-4-8-14/h1-12H,(H,22,24)(H,21,23,25).
What are the key properties of 7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine?
7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine has a molecular weight of 392.26 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine is sourced from PubChem (CID 1111682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).