2-[[4-[1-cyclobutyl-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine

C26H27N5O — CID 11568070

IUPAC2-[[4-[1-cyclobutyl-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine
SMILESCn1nnnc1-c1ccc(C(C)(c2ccc(OCc3ccccn3)cc2)C2CCC2)cc1
InChIInChI=1S/C26H27N5O/c1-26(20-6-5-7-20,21-11-9-19(10-12-21)25-28-29-30-31(25)2)22-13-15-24(16-14-22)32-18-23-8-3-4-17-27-23/h3-4,8-17,20H,5-7,18H2,1-2H3
InChIKeyIVJIOOBNNNBPGF-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.96
Rot. Bonds7

About 2-[[4-[1-cyclobutyl-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine

2-[[4-[1-cyclobutyl-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine (PubChem CID 11568070) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-[[4-[1-cyclobutyl-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-[1-cyclobutyl-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine
PubChem CID11568070
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name2-[[4-[1-cyclobutyl-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine
SMILESCn1nnnc1-c1ccc(C(C)(c2ccc(OCc3ccccn3)cc2)C2CCC2)cc1
InChIInChI=1S/C26H27N5O/c1-26(20-6-5-7-20,21-11-9-19(10-12-21)25-28-29-30-31(25)2)22-13-15-24(16-14-22)32-18-23-8-3-4-17-27-23/h3-4,8-17,20H,5-7,18H2,1-2H3
InChIKeyIVJIOOBNNNBPGF-UHFFFAOYSA-N
XLogP4.96
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[1-(1-methylcyclobutyl)-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine
CID 11510469
2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine
CID 11611957
2-[[4-[3,3-dimethyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine
CID 11547016
2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]pyridine
CID 11626325
N,N-dimethyl-2-[5-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]tetrazol-1-yl]ethanamine
CID 66864682
2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine
CID 11640896
3-[4-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 59416652
2-bromo-2-[4-(pyridin-2-ylmethoxy)phenyl]propanoic acid
CID 91416861
5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine
CID 11711628
3-chloro-6-[4-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]pyridazine
CID 59416741
2-[[4-[(1S,2S,4R)-2-[4-(1-methyltetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]-1,3-thiazole
CID 66863827
[4-[(2-methylpropan-2-yl)oxy]phenyl]-bis[4-(pyridin-2-ylmethoxy)phenyl]sulfanium
CID 22290221

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-cyclobutyl-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine?
The IUPAC name of 2-[[4-[1-cyclobutyl-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine (CID 11568070) is 2-[[4-[1-cyclobutyl-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[4-[1-cyclobutyl-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[4-[1-cyclobutyl-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine is Cn1nnnc1-c1ccc(C(C)(c2ccc(OCc3ccccn3)cc2)C2CCC2)cc1.
What is the InChIKey of 2-[[4-[1-cyclobutyl-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine?
The InChIKey is IVJIOOBNNNBPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-26(20-6-5-7-20,21-11-9-19(10-12-21)25-28-29-30-31(25)2)22-13-15-24(16-14-22)32-18-23-8-3-4-17-27-23/h3-4,8-17,20H,5-7,18H2,1-2H3.
What are the key properties of 2-[[4-[1-cyclobutyl-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine?
2-[[4-[1-cyclobutyl-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine has a molecular weight of 425.54 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-cyclobutyl-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine is sourced from PubChem (CID 11568070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).