6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine

C23H24F2N4 — CID 57257291

IUPAC6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(CCN3CCN(c4ccc(F)cc4)CC3)c(F)c2)n1
InChIInChI=1S/C23H24F2N4/c24-19-6-8-20(9-7-19)29-14-12-28(13-15-29)11-10-17-4-5-18(16-21(17)25)22-2-1-3-23(26)27-22/h1-9,16H,10-15H2,(H2,26,27)
InChIKeyFNNINBKZOZAEAH-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.97
Rot. Bonds5

About 6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine

6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (PubChem CID 57257291) has the molecular formula C23H24F2N4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
PubChem CID57257291
Molecular FormulaC23H24F2N4
Molecular Weight394.47 g/mol
Exact Mass394.20
IUPAC Name6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(CCN3CCN(c4ccc(F)cc4)CC3)c(F)c2)n1
InChIInChI=1S/C23H24F2N4/c24-19-6-8-20(9-7-19)29-14-12-28(13-15-29)11-10-17-4-5-18(16-21(17)25)22-2-1-3-23(26)27-22/h1-9,16H,10-15H2,(H2,26,27)
InChIKeyFNNINBKZOZAEAH-UHFFFAOYSA-N
XLogP3.97
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The IUPAC name of 6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (CID 57257291) is 6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The canonical SMILES for 6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is Nc1cccc(-c2ccc(CCN3CCN(c4ccc(F)cc4)CC3)c(F)c2)n1.
What is the InChIKey of 6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The InChIKey is FNNINBKZOZAEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4/c24-19-6-8-20(9-7-19)29-14-12-28(13-15-29)11-10-17-4-5-18(16-21(17)25)22-2-1-3-23(26)27-22/h1-9,16H,10-15H2,(H2,26,27).
What are the key properties of 6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine has a molecular weight of 394.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 57257291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).