2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(5-pyrrolidin-1-yl-1H-pyrrol-2-yl)pyridine

C21H20FN3 — CID 68872905

IUPAC2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(5-pyrrolidin-1-yl-1H-pyrrol-2-yl)pyridine
SMILESFc1ccc(/C=C/c2cc(-c3ccc(N4CCCC4)[nH]3)ccn2)cc1
InChIInChI=1S/C21H20FN3/c22-18-6-3-16(4-7-18)5-8-19-15-17(11-12-23-19)20-9-10-21(24-20)25-13-1-2-14-25/h3-12,15,24H,1-2,13-14H2/b8-5+
InChIKeyUUCWMKARQDFSPW-VMPITWQZSA-N
MW333.41 g/mol
LogP4.99
Rot. Bonds4

About 2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(5-pyrrolidin-1-yl-1H-pyrrol-2-yl)pyridine

2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(5-pyrrolidin-1-yl-1H-pyrrol-2-yl)pyridine (PubChem CID 68872905) has the molecular formula C21H20FN3 and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(5-pyrrolidin-1-yl-1H-pyrrol-2-yl)pyridine.

Molecular Properties

Compound Name2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(5-pyrrolidin-1-yl-1H-pyrrol-2-yl)pyridine
PubChem CID68872905
Molecular FormulaC21H20FN3
Molecular Weight333.41 g/mol
Exact Mass333.16
IUPAC Name2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(5-pyrrolidin-1-yl-1H-pyrrol-2-yl)pyridine
SMILESFc1ccc(/C=C/c2cc(-c3ccc(N4CCCC4)[nH]3)ccn2)cc1
InChIInChI=1S/C21H20FN3/c22-18-6-3-16(4-7-18)5-8-19-15-17(11-12-23-19)20-9-10-21(24-20)25-13-1-2-14-25/h3-12,15,24H,1-2,13-14H2/b8-5+
InChIKeyUUCWMKARQDFSPW-VMPITWQZSA-N
XLogP4.99
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(5-pyrrolidin-1-yl-1H-pyrrol-2-yl)pyridine?
The IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(5-pyrrolidin-1-yl-1H-pyrrol-2-yl)pyridine (CID 68872905) is 2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(5-pyrrolidin-1-yl-1H-pyrrol-2-yl)pyridine.
What is the SMILES notation for 2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(5-pyrrolidin-1-yl-1H-pyrrol-2-yl)pyridine?
The canonical SMILES for 2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(5-pyrrolidin-1-yl-1H-pyrrol-2-yl)pyridine is Fc1ccc(/C=C/c2cc(-c3ccc(N4CCCC4)[nH]3)ccn2)cc1.
What is the InChIKey of 2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(5-pyrrolidin-1-yl-1H-pyrrol-2-yl)pyridine?
The InChIKey is UUCWMKARQDFSPW-VMPITWQZSA-N. The full InChI is InChI=1S/C21H20FN3/c22-18-6-3-16(4-7-18)5-8-19-15-17(11-12-23-19)20-9-10-21(24-20)25-13-1-2-14-25/h3-12,15,24H,1-2,13-14H2/b8-5+.
What are the key properties of 2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(5-pyrrolidin-1-yl-1H-pyrrol-2-yl)pyridine?
2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(5-pyrrolidin-1-yl-1H-pyrrol-2-yl)pyridine has a molecular weight of 333.41 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(5-pyrrolidin-1-yl-1H-pyrrol-2-yl)pyridine is sourced from PubChem (CID 68872905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).