[5-(2-fluorophenyl)pyrazolidin-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

C21H25FN4O2 — CID 78082212

IUPAC[5-(2-fluorophenyl)pyrazolidin-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(C1CC(c2ccccc2F)NN1)N1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C21H25FN4O2/c22-18-8-2-1-7-17(18)19-11-20(25-24-19)21(27)26-10-4-6-16(13-26)28-14-15-5-3-9-23-12-15/h1-3,5,7-9,12,16,19-20,24-25H,4,6,10-11,13-14H2
InChIKeyTZSQTNGIRAEYCA-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.34
Rot. Bonds5

About [5-(2-fluorophenyl)pyrazolidin-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

[5-(2-fluorophenyl)pyrazolidin-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 78082212) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is [5-(2-fluorophenyl)pyrazolidin-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)pyrazolidin-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
PubChem CID78082212
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name[5-(2-fluorophenyl)pyrazolidin-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(C1CC(c2ccccc2F)NN1)N1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C21H25FN4O2/c22-18-8-2-1-7-17(18)19-11-20(25-24-19)21(27)26-10-4-6-16(13-26)28-14-15-5-3-9-23-12-15/h1-3,5,7-9,12,16,19-20,24-25H,4,6,10-11,13-14H2
InChIKeyTZSQTNGIRAEYCA-UHFFFAOYSA-N
XLogP2.34
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)pyrazolidin-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of [5-(2-fluorophenyl)pyrazolidin-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (CID 78082212) is [5-(2-fluorophenyl)pyrazolidin-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(2-fluorophenyl)pyrazolidin-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [5-(2-fluorophenyl)pyrazolidin-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is O=C(C1CC(c2ccccc2F)NN1)N1CCCC(OCc2cccnc2)C1.
What is the InChIKey of [5-(2-fluorophenyl)pyrazolidin-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is TZSQTNGIRAEYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-18-8-2-1-7-17(18)19-11-20(25-24-19)21(27)26-10-4-6-16(13-26)28-14-15-5-3-9-23-12-15/h1-3,5,7-9,12,16,19-20,24-25H,4,6,10-11,13-14H2.
What are the key properties of [5-(2-fluorophenyl)pyrazolidin-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
[5-(2-fluorophenyl)pyrazolidin-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 384.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)pyrazolidin-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 78082212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).