2-[5-(1-benzothiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine

C23H16FN3S — CID 56598521

IUPAC2-[5-(1-benzothiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine
SMILESFc1ccccc1Cn1nc(-c2ccccn2)cc1-c1csc2ccccc12
InChIInChI=1S/C23H16FN3S/c24-19-9-3-1-7-16(19)14-27-22(13-21(26-27)20-10-5-6-12-25-20)18-15-28-23-11-4-2-8-17(18)23/h1-13,15H,14H2
InChIKeyJGPCGIXZCBOQJE-UHFFFAOYSA-N
MW385.47 g/mol
LogP6.01
Rot. Bonds4

About 2-[5-(1-benzothiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine

2-[5-(1-benzothiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine (PubChem CID 56598521) has the molecular formula C23H16FN3S and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[5-(1-benzothiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-(1-benzothiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine
PubChem CID56598521
Molecular FormulaC23H16FN3S
Molecular Weight385.47 g/mol
Exact Mass385.10
IUPAC Name2-[5-(1-benzothiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine
SMILESFc1ccccc1Cn1nc(-c2ccccn2)cc1-c1csc2ccccc12
InChIInChI=1S/C23H16FN3S/c24-19-9-3-1-7-16(19)14-27-22(13-21(26-27)20-10-5-6-12-25-20)18-15-28-23-11-4-2-8-17(18)23/h1-13,15H,14H2
InChIKeyJGPCGIXZCBOQJE-UHFFFAOYSA-N
XLogP6.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzothiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine?
The IUPAC name of 2-[5-(1-benzothiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine (CID 56598521) is 2-[5-(1-benzothiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[5-(1-benzothiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 2-[5-(1-benzothiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine is Fc1ccccc1Cn1nc(-c2ccccn2)cc1-c1csc2ccccc12.
What is the InChIKey of 2-[5-(1-benzothiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine?
The InChIKey is JGPCGIXZCBOQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3S/c24-19-9-3-1-7-16(19)14-27-22(13-21(26-27)20-10-5-6-12-25-20)18-15-28-23-11-4-2-8-17(18)23/h1-13,15H,14H2.
What are the key properties of 2-[5-(1-benzothiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine?
2-[5-(1-benzothiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine has a molecular weight of 385.47 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzothiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 56598521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).