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

C25H23FN2O — CID 18537510

IUPAC4-[4-(4-fluorophenyl)-2-(3-phenylmethoxypropyl)-1H-pyrrol-3-yl]pyridine
SMILESFc1ccc(-c2c[nH]c(CCCOCc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C25H23FN2O/c26-22-10-8-20(9-11-22)23-17-28-24(25(23)21-12-14-27-15-13-21)7-4-16-29-18-19-5-2-1-3-6-19/h1-3,5-6,8-15,17,28H,4,7,16,18H2
InChIKeyLPAJTZHCJJBJAG-UHFFFAOYSA-N
MW386.47 g/mol
LogP6.03
Rot. Bonds8

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

4-[4-(4-fluorophenyl)-2-(3-phenylmethoxypropyl)-1H-pyrrol-3-yl]pyridine (PubChem CID 18537510) has the molecular formula C25H23FN2O and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-(3-phenylmethoxypropyl)-1H-pyrrol-3-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-(3-phenylmethoxypropyl)-1H-pyrrol-3-yl]pyridine
PubChem CID18537510
Molecular FormulaC25H23FN2O
Molecular Weight386.47 g/mol
Exact Mass386.18
IUPAC Name4-[4-(4-fluorophenyl)-2-(3-phenylmethoxypropyl)-1H-pyrrol-3-yl]pyridine
SMILESFc1ccc(-c2c[nH]c(CCCOCc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C25H23FN2O/c26-22-10-8-20(9-11-22)23-17-28-24(25(23)21-12-14-27-15-13-21)7-4-16-29-18-19-5-2-1-3-6-19/h1-3,5-6,8-15,17,28H,4,7,16,18H2
InChIKeyLPAJTZHCJJBJAG-UHFFFAOYSA-N
XLogP6.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-(3-phenylmethoxypropyl)-1H-pyrrol-3-yl]pyridine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-(3-phenylmethoxypropyl)-1H-pyrrol-3-yl]pyridine (CID 18537510) is 4-[4-(4-fluorophenyl)-2-(3-phenylmethoxypropyl)-1H-pyrrol-3-yl]pyridine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-(3-phenylmethoxypropyl)-1H-pyrrol-3-yl]pyridine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-(3-phenylmethoxypropyl)-1H-pyrrol-3-yl]pyridine is Fc1ccc(-c2c[nH]c(CCCOCc3ccccc3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-(3-phenylmethoxypropyl)-1H-pyrrol-3-yl]pyridine?
The InChIKey is LPAJTZHCJJBJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O/c26-22-10-8-20(9-11-22)23-17-28-24(25(23)21-12-14-27-15-13-21)7-4-16-29-18-19-5-2-1-3-6-19/h1-3,5-6,8-15,17,28H,4,7,16,18H2.
What are the key properties of 4-[4-(4-fluorophenyl)-2-(3-phenylmethoxypropyl)-1H-pyrrol-3-yl]pyridine?
4-[4-(4-fluorophenyl)-2-(3-phenylmethoxypropyl)-1H-pyrrol-3-yl]pyridine has a molecular weight of 386.47 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-(3-phenylmethoxypropyl)-1H-pyrrol-3-yl]pyridine is sourced from PubChem (CID 18537510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).