2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine

C26H22N6O — CID 57206384

IUPAC2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine
SMILESCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c(-c2ccccn2)c(C)n1
InChIInChI=1S/C26H22N6O/c1-17-14-24(25(18(2)28-17)23-10-6-7-13-27-23)33-16-19-11-12-21(20-8-4-3-5-9-20)22(15-19)26-29-31-32-30-26/h3-15H,16H2,1-2H3,(H,29,30,31,32)
InChIKeyXYUNMSPYZKKJBQ-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.19
Rot. Bonds6

About 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine

2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine (PubChem CID 57206384) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine
PubChem CID57206384
Molecular FormulaC26H22N6O
Molecular Weight434.50 g/mol
Exact Mass434.19
IUPAC Name2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine
SMILESCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c(-c2ccccn2)c(C)n1
InChIInChI=1S/C26H22N6O/c1-17-14-24(25(18(2)28-17)23-10-6-7-13-27-23)33-16-19-11-12-21(20-8-4-3-5-9-20)22(15-19)26-29-31-32-30-26/h3-15H,16H2,1-2H3,(H,29,30,31,32)
InChIKeyXYUNMSPYZKKJBQ-UHFFFAOYSA-N
XLogP5.19
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine with MolForge

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Related Compounds

ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate
CID 57246030
1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine
CID 57152557
2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 14950487
2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57281004
3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine
CID 174271702
2-ethyl-6-methoxy-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57314307
2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 57197947
2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine
CID 57313427
3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine
CID 151578231
2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile
CID 57011234
methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate
CID 14950504
4-[2,6-dimethyl-4-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-3-pyridinyl]benzonitrile
CID 57142702

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine?
The IUPAC name of 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine (CID 57206384) is 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine.
What is the SMILES notation for 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine?
The canonical SMILES for 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine is Cc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c(-c2ccccn2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine?
The InChIKey is XYUNMSPYZKKJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c1-17-14-24(25(18(2)28-17)23-10-6-7-13-27-23)33-16-19-11-12-21(20-8-4-3-5-9-20)22(15-19)26-29-31-32-30-26/h3-15H,16H2,1-2H3,(H,29,30,31,32).
What are the key properties of 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine?
2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine has a molecular weight of 434.50 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine is sourced from PubChem (CID 57206384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).