2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine

C27H31N5O — CID 11611957

IUPAC2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine
SMILESCC(C)n1nnnc1-c1ccc(C(C)(c2ccc(OCc3ccccn3)cc2)C(C)C)cc1
InChIInChI=1S/C27H31N5O/c1-19(2)27(5,22-11-9-21(10-12-22)26-29-30-31-32(26)20(3)4)23-13-15-25(16-14-23)33-18-24-8-6-7-17-28-24/h6-17,19-20H,18H2,1-5H3
InChIKeyLGXRWKJHKDWRKW-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.86
Rot. Bonds8

About 2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine

2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine (PubChem CID 11611957) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is 2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine
PubChem CID11611957
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC Name2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine
SMILESCC(C)n1nnnc1-c1ccc(C(C)(c2ccc(OCc3ccccn3)cc2)C(C)C)cc1
InChIInChI=1S/C27H31N5O/c1-19(2)27(5,22-11-9-21(10-12-22)26-29-30-31-32(26)20(3)4)23-13-15-25(16-14-23)33-18-24-8-6-7-17-28-24/h6-17,19-20H,18H2,1-5H3
InChIKeyLGXRWKJHKDWRKW-UHFFFAOYSA-N
XLogP5.86
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine with MolForge

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Related Compounds

2-[[4-[3,3-dimethyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine
CID 11547016
3-chloro-6-[4-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]pyridazine
CID 59416741
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-[[4-[1-cyclobutyl-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine
CID 11568070
2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]pyridine
CID 11626325
2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine
CID 11640896
2-[[4-[1-(1-methylcyclobutyl)-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine
CID 11510469
2-[3-[4-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1H-1,2,4-triazol-5-yl]propan-2-amine
CID 59416726
1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid
CID 71666862
2-bromo-2-[4-(pyridin-2-ylmethoxy)phenyl]propanoic acid
CID 91416861
1-[4-[3-methyl-2-[4-(2H-tetrazol-5-yl)phenyl]butan-2-yl]phenyl]-2-pyridin-2-ylethanone
CID 59416635
5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine
CID 11711628

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine?
The IUPAC name of 2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine (CID 11611957) is 2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine is CC(C)n1nnnc1-c1ccc(C(C)(c2ccc(OCc3ccccn3)cc2)C(C)C)cc1.
What is the InChIKey of 2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine?
The InChIKey is LGXRWKJHKDWRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O/c1-19(2)27(5,22-11-9-21(10-12-22)26-29-30-31-32(26)20(3)4)23-13-15-25(16-14-23)33-18-24-8-6-7-17-28-24/h6-17,19-20H,18H2,1-5H3.
What are the key properties of 2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine?
2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine has a molecular weight of 441.58 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-methyl-2-[4-(1-propan-2-yltetrazol-5-yl)phenyl]butan-2-yl]phenoxy]methyl]pyridine is sourced from PubChem (CID 11611957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).