1-[5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine

C25H22FN5 — CID 56597469

IUPAC1-[5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine
SMILESFc1ccccc1-c1cc(-c2cncc(-c3ccc(N4CCNCC4)nc3)c2)ccn1
InChIInChI=1S/C25H22FN5/c26-23-4-2-1-3-22(23)24-14-18(7-8-29-24)20-13-21(16-28-15-20)19-5-6-25(30-17-19)31-11-9-27-10-12-31/h1-8,13-17,27H,9-12H2
InChIKeyFAGNHWZVRIAPGD-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.42
Rot. Bonds4

About 1-[5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine

1-[5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine (PubChem CID 56597469) has the molecular formula C25H22FN5 and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-[5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine
PubChem CID56597469
Molecular FormulaC25H22FN5
Molecular Weight411.48 g/mol
Exact Mass411.19
IUPAC Name1-[5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine
SMILESFc1ccccc1-c1cc(-c2cncc(-c3ccc(N4CCNCC4)nc3)c2)ccn1
InChIInChI=1S/C25H22FN5/c26-23-4-2-1-3-22(23)24-14-18(7-8-29-24)20-13-21(16-28-15-20)19-5-6-25(30-17-19)31-11-9-27-10-12-31/h1-8,13-17,27H,9-12H2
InChIKeyFAGNHWZVRIAPGD-UHFFFAOYSA-N
XLogP4.42
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine?
The IUPAC name of 1-[5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine (CID 56597469) is 1-[5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine?
The canonical SMILES for 1-[5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine is Fc1ccccc1-c1cc(-c2cncc(-c3ccc(N4CCNCC4)nc3)c2)ccn1.
What is the InChIKey of 1-[5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine?
The InChIKey is FAGNHWZVRIAPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5/c26-23-4-2-1-3-22(23)24-14-18(7-8-29-24)20-13-21(16-28-15-20)19-5-6-25(30-17-19)31-11-9-27-10-12-31/h1-8,13-17,27H,9-12H2.
What are the key properties of 1-[5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine?
1-[5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine has a molecular weight of 411.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine is sourced from PubChem (CID 56597469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).