5-[4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine

C26H18F2N6 — CID 76899981

IUPAC5-[4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3-c3ccc(-c4cnc(N)cn4)c(F)c3)cc2F)cn1
InChIInChI=1S/C26H18F2N6/c27-21-9-15(5-7-19(21)23-11-33-25(29)13-31-23)17-3-1-2-4-18(17)16-6-8-20(22(28)10-16)24-12-34-26(30)14-32-24/h1-14H,(H2,29,33)(H2,30,34)
InChIKeyMABAQQGUTVUPNU-UHFFFAOYSA-N
MW452.47 g/mol
LogP5.38
Rot. Bonds4

About 5-[4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine

5-[4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine (PubChem CID 76899981) has the molecular formula C26H18F2N6 and a molecular weight of 452.47 g/mol. Its IUPAC name is 5-[4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine
PubChem CID76899981
Molecular FormulaC26H18F2N6
Molecular Weight452.47 g/mol
Exact Mass452.16
IUPAC Name5-[4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3-c3ccc(-c4cnc(N)cn4)c(F)c3)cc2F)cn1
InChIInChI=1S/C26H18F2N6/c27-21-9-15(5-7-19(21)23-11-33-25(29)13-31-23)17-3-1-2-4-18(17)16-6-8-20(22(28)10-16)24-12-34-26(30)14-32-24/h1-14H,(H2,29,33)(H2,30,34)
InChIKeyMABAQQGUTVUPNU-UHFFFAOYSA-N
XLogP5.38
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.47
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine (CID 76899981) is 5-[4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(-c3ccccc3-c3ccc(-c4cnc(N)cn4)c(F)c3)cc2F)cn1.
What is the InChIKey of 5-[4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine?
The InChIKey is MABAQQGUTVUPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N6/c27-21-9-15(5-7-19(21)23-11-33-25(29)13-31-23)17-3-1-2-4-18(17)16-6-8-20(22(28)10-16)24-12-34-26(30)14-32-24/h1-14H,(H2,29,33)(H2,30,34).
What are the key properties of 5-[4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine?
5-[4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine has a molecular weight of 452.47 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine is sourced from PubChem (CID 76899981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).