4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine

C23H26FN5 — CID 22037711

IUPAC4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2[nH]nc(N3CCC(N4CCCC4)CC3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H26FN5/c24-19-5-3-18(4-6-19)22-21(17-7-11-25-12-8-17)23(27-26-22)29-15-9-20(10-16-29)28-13-1-2-14-28/h3-8,11-12,20H,1-2,9-10,13-16H2,(H,26,27)
InChIKeyGLGFKKPJKKUODS-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.34
Rot. Bonds4

About 4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine

4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine (PubChem CID 22037711) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
PubChem CID22037711
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC Name4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2[nH]nc(N3CCC(N4CCCC4)CC3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H26FN5/c24-19-5-3-18(4-6-19)22-21(17-7-11-25-12-8-17)23(27-26-22)29-15-9-20(10-16-29)28-13-1-2-14-28/h3-8,11-12,20H,1-2,9-10,13-16H2,(H,26,27)
InChIKeyGLGFKKPJKKUODS-UHFFFAOYSA-N
XLogP4.34
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine (CID 22037711) is 4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine is Fc1ccc(-c2[nH]nc(N3CCC(N4CCCC4)CC3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is GLGFKKPJKKUODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c24-19-5-3-18(4-6-19)22-21(17-7-11-25-12-8-17)23(27-26-22)29-15-9-20(10-16-29)28-13-1-2-14-28/h3-8,11-12,20H,1-2,9-10,13-16H2,(H,26,27).
What are the key properties of 4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 391.49 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 22037711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).