5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine

C21H16FN5 — CID 122525626

IUPAC5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine
SMILESNc1ccc(-c2c(F)cccc2-c2ccc(-c3cnc(N)cn3)cc2)cn1
InChIInChI=1S/C21H16FN5/c22-17-3-1-2-16(21(17)15-8-9-19(23)26-10-15)13-4-6-14(7-5-13)18-11-27-20(24)12-25-18/h1-12H,(H2,23,26)(H2,24,27)
InChIKeyJFBLEEZMIZPLFO-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.18
Rot. Bonds3

About 5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine

5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine (PubChem CID 122525626) has the molecular formula C21H16FN5 and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine
PubChem CID122525626
Molecular FormulaC21H16FN5
Molecular Weight357.39 g/mol
Exact Mass357.14
IUPAC Name5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine
SMILESNc1ccc(-c2c(F)cccc2-c2ccc(-c3cnc(N)cn3)cc2)cn1
InChIInChI=1S/C21H16FN5/c22-17-3-1-2-16(21(17)15-8-9-19(23)26-10-15)13-4-6-14(7-5-13)18-11-27-20(24)12-25-18/h1-12H,(H2,23,26)(H2,24,27)
InChIKeyJFBLEEZMIZPLFO-UHFFFAOYSA-N
XLogP4.18
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine (CID 122525626) is 5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine is Nc1ccc(-c2c(F)cccc2-c2ccc(-c3cnc(N)cn3)cc2)cn1.
What is the InChIKey of 5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine?
The InChIKey is JFBLEEZMIZPLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5/c22-17-3-1-2-16(21(17)15-8-9-19(23)26-10-15)13-4-6-14(7-5-13)18-11-27-20(24)12-25-18/h1-12H,(H2,23,26)(H2,24,27).
What are the key properties of 5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine?
5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine has a molecular weight of 357.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 122525626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).