4-[5-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine

C22H24FN3 — CID 15550445

IUPAC4-[5-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine
SMILESCCN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1
InChIInChI=1S/C22H24FN3/c1-2-26-13-9-17(10-14-26)21-15-20(16-7-11-24-12-8-16)22(25-21)18-3-5-19(23)6-4-18/h3-8,11-12,15,17,25H,2,9-10,13-14H2,1H3
InChIKeyFQMPOKLBBPVUIX-UHFFFAOYSA-N
MW349.45 g/mol
LogP5.08
Rot. Bonds4

About 4-[5-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine

4-[5-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine (PubChem CID 15550445) has the molecular formula C22H24FN3 and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-[5-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine
PubChem CID15550445
Molecular FormulaC22H24FN3
Molecular Weight349.45 g/mol
Exact Mass349.20
IUPAC Name4-[5-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine
SMILESCCN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1
InChIInChI=1S/C22H24FN3/c1-2-26-13-9-17(10-14-26)21-15-20(16-7-11-24-12-8-16)22(25-21)18-3-5-19(23)6-4-18/h3-8,11-12,15,17,25H,2,9-10,13-14H2,1H3
InChIKeyFQMPOKLBBPVUIX-UHFFFAOYSA-N
XLogP5.08
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine?
The IUPAC name of 4-[5-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine (CID 15550445) is 4-[5-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine.
What is the SMILES notation for 4-[5-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine?
The canonical SMILES for 4-[5-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine is CCN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1.
What is the InChIKey of 4-[5-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine?
The InChIKey is FQMPOKLBBPVUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3/c1-2-26-13-9-17(10-14-26)21-15-20(16-7-11-24-12-8-16)22(25-21)18-3-5-19(23)6-4-18/h3-8,11-12,15,17,25H,2,9-10,13-14H2,1H3.
What are the key properties of 4-[5-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine?
4-[5-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine has a molecular weight of 349.45 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine is sourced from PubChem (CID 15550445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).