4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine

C23H20N2O — CID 141287683

IUPAC4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine
SMILESCc1cc(-c2ccc(OCc3ccccc3)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C23H20N2O/c1-17-15-22(23(25-17)20-11-13-24-14-12-20)19-7-9-21(10-8-19)26-16-18-5-3-2-4-6-18/h2-15,25H,16H2,1H3
InChIKeyLAIZPAVIQZMPGQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.63
Rot. Bonds5

About 4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine

4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine (PubChem CID 141287683) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine.

Molecular Properties

Compound Name4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine
PubChem CID141287683
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine
SMILESCc1cc(-c2ccc(OCc3ccccc3)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C23H20N2O/c1-17-15-22(23(25-17)20-11-13-24-14-12-20)19-7-9-21(10-8-19)26-16-18-5-3-2-4-6-18/h2-15,25H,16H2,1H3
InChIKeyLAIZPAVIQZMPGQ-UHFFFAOYSA-N
XLogP5.63
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine?
The IUPAC name of 4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine (CID 141287683) is 4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine.
What is the SMILES notation for 4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine?
The canonical SMILES for 4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine is Cc1cc(-c2ccc(OCc3ccccc3)cc2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine?
The InChIKey is LAIZPAVIQZMPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-17-15-22(23(25-17)20-11-13-24-14-12-20)19-7-9-21(10-8-19)26-16-18-5-3-2-4-6-18/h2-15,25H,16H2,1H3.
What are the key properties of 4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine?
4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine has a molecular weight of 340.43 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine is sourced from PubChem (CID 141287683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).