2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]pyridine

C27H29N5O — CID 11626325

IUPAC2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]pyridine
SMILESCCn1nnnc1-c1ccc(C(C)(c2ccc(OCc3ccccn3)cc2)C2(C)CC2)cc1
InChIInChI=1S/C27H29N5O/c1-4-32-25(29-30-31-32)20-8-10-21(11-9-20)27(3,26(2)16-17-26)22-12-14-24(15-13-22)33-19-23-7-5-6-18-28-23/h5-15,18H,4,16-17,19H2,1-3H3
InChIKeyFWGLCSVIBFLFLM-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.44
Rot. Bonds8

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

2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]pyridine (PubChem CID 11626325) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]pyridine
PubChem CID11626325
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]pyridine
SMILESCCn1nnnc1-c1ccc(C(C)(c2ccc(OCc3ccccn3)cc2)C2(C)CC2)cc1
InChIInChI=1S/C27H29N5O/c1-4-32-25(29-30-31-32)20-8-10-21(11-9-20)27(3,26(2)16-17-26)22-12-14-24(15-13-22)33-19-23-7-5-6-18-28-23/h5-15,18H,4,16-17,19H2,1-3H3
InChIKeyFWGLCSVIBFLFLM-UHFFFAOYSA-N
XLogP5.44
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]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

CID 77050711
CID 77050711
CID 126715974
CID 126715974
CID 91886002
CID 91886002
CID 10337498
CID 10337498
CID 44577937
CID 44577937
CID 71621803
CID 71621803
CID 153933310
CID 153933310
CID 153933314
CID 153933314
CID 153933318
CID 153933318
CID 1523656
CID 1523656
CID 14950506
CID 14950506
CID 44357534
CID 44357534

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]pyridine?
The IUPAC name of 2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]pyridine (CID 11626325) is 2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]pyridine is CCn1nnnc1-c1ccc(C(C)(c2ccc(OCc3ccccn3)cc2)C2(C)CC2)cc1.
What is the InChIKey of 2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]pyridine?
The InChIKey is FWGLCSVIBFLFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-4-32-25(29-30-31-32)20-8-10-21(11-9-20)27(3,26(2)16-17-26)22-12-14-24(15-13-22)33-19-23-7-5-6-18-28-23/h5-15,18H,4,16-17,19H2,1-3H3.
What are the key properties of 2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]pyridine?
2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]pyridine has a molecular weight of 439.56 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-[4-(1-ethyltetrazol-5-yl)phenyl]-1-(1-methylcyclopropyl)ethyl]phenoxy]methyl]pyridine is sourced from PubChem (CID 11626325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).