3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine

C23H21N5O — CID 164611886

IUPAC3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
SMILESCOc1ccccc1-c1cc(C)c(/C=C/c2cncc(-c3nn[nH]n3)c2)c(C)c1
InChIInChI=1S/C23H21N5O/c1-15-10-18(21-6-4-5-7-22(21)29-3)11-16(2)20(15)9-8-17-12-19(14-24-13-17)23-25-27-28-26-23/h4-14H,1-3H3,(H,25,26,27,28)/b9-8+
InChIKeyFNQDSFFHULQHNW-CMDGGOBGSA-N
MW383.46 g/mol
LogP4.72
Rot. Bonds5

About 3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine

3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine (PubChem CID 164611886) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
PubChem CID164611886
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
SMILESCOc1ccccc1-c1cc(C)c(/C=C/c2cncc(-c3nn[nH]n3)c2)c(C)c1
InChIInChI=1S/C23H21N5O/c1-15-10-18(21-6-4-5-7-22(21)29-3)11-16(2)20(15)9-8-17-12-19(14-24-13-17)23-25-27-28-26-23/h4-14H,1-3H3,(H,25,26,27,28)/b9-8+
InChIKeyFNQDSFFHULQHNW-CMDGGOBGSA-N
XLogP4.72
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-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

Related Compounds

3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
CID 53239940
2,6-Dimethyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethoxy]-pyridine
CID 14950495
2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
CID 14950501
2-[2-[3-(2-Methoxy-5-methylphenyl)phenyl]tetrazol-5-yl]pyridine
CID 44395665
2,6-dimethyl-3-pyridin-4-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
CID 14950506
3,5-dimethyl-4-{(E)-2-[5-(1H-tetrazol-5-yl)-3-pyridinyl]ethenyl}phenol
CID 16049771
Sdccggsk-0000146.P001
CID 44418476
3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol
CID 53239970
4-[5-[2,6-Dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]pentyl]pyridine
CID 44385543
3-[5-[2,6-Dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]pentyl]pyridine
CID 44386481
3-[(E)-2-[4-(4-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
CID 164608725
3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
CID 164612317

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine (CID 164611886) is 3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine is COc1ccccc1-c1cc(C)c(/C=C/c2cncc(-c3nn[nH]n3)c2)c(C)c1.
What is the InChIKey of 3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine?
The InChIKey is FNQDSFFHULQHNW-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H21N5O/c1-15-10-18(21-6-4-5-7-22(21)29-3)11-16(2)20(15)9-8-17-12-19(14-24-13-17)23-25-27-28-26-23/h4-14H,1-3H3,(H,25,26,27,28)/b9-8+.
What are the key properties of 3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine?
3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine has a molecular weight of 383.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 164611886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).