1-[5-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]-4-methylpiperazine

C28H28FN5 — CID 66829500

IUPAC1-[5-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(-c3cc(F)ccc3CC(c3cccnc3)c3cccnc3)cn2)CC1
InChIInChI=1S/C28H28FN5/c1-33-12-14-34(15-13-33)28-9-7-24(20-32-28)27-17-25(29)8-6-21(27)16-26(22-4-2-10-30-18-22)23-5-3-11-31-19-23/h2-11,17-20,26H,12-16H2,1H3
InChIKeyRGHGLBVTBSKOIN-UHFFFAOYSA-N
MW453.57 g/mol
LogP4.80
Rot. Bonds6

About 1-[5-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]-4-methylpiperazine

1-[5-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]-4-methylpiperazine (PubChem CID 66829500) has the molecular formula C28H28FN5 and a molecular weight of 453.57 g/mol. Its IUPAC name is 1-[5-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[5-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]-4-methylpiperazine
PubChem CID66829500
Molecular FormulaC28H28FN5
Molecular Weight453.57 g/mol
Exact Mass453.23
IUPAC Name1-[5-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(-c3cc(F)ccc3CC(c3cccnc3)c3cccnc3)cn2)CC1
InChIInChI=1S/C28H28FN5/c1-33-12-14-34(15-13-33)28-9-7-24(20-32-28)27-17-25(29)8-6-21(27)16-26(22-4-2-10-30-18-22)23-5-3-11-31-19-23/h2-11,17-20,26H,12-16H2,1H3
InChIKeyRGHGLBVTBSKOIN-UHFFFAOYSA-N
XLogP4.80
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]-4-methylpiperazine?
The IUPAC name of 1-[5-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]-4-methylpiperazine (CID 66829500) is 1-[5-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]-4-methylpiperazine.
What is the SMILES notation for 1-[5-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]-4-methylpiperazine?
The canonical SMILES for 1-[5-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]-4-methylpiperazine is CN1CCN(c2ccc(-c3cc(F)ccc3CC(c3cccnc3)c3cccnc3)cn2)CC1.
What is the InChIKey of 1-[5-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]-4-methylpiperazine?
The InChIKey is RGHGLBVTBSKOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5/c1-33-12-14-34(15-13-33)28-9-7-24(20-32-28)27-17-25(29)8-6-21(27)16-26(22-4-2-10-30-18-22)23-5-3-11-31-19-23/h2-11,17-20,26H,12-16H2,1H3.
What are the key properties of 1-[5-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]-4-methylpiperazine?
1-[5-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]-4-methylpiperazine has a molecular weight of 453.57 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]-4-methylpiperazine is sourced from PubChem (CID 66829500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).