3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine

C23H21FN4O — CID 176625728

IUPAC3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cnc(-n4nccn4)c(F)c3)cc2)cc1
InChIInChI=1S/C23H21FN4O/c1-16-4-6-17(7-5-16)23(2,3)18-8-10-19(11-9-18)29-20-14-21(24)22(25-15-20)28-26-12-13-27-28/h4-15H,1-3H3
InChIKeyNJAJRBQAOBRCLH-UHFFFAOYSA-N
MW388.45 g/mol
LogP5.23
Rot. Bonds5

About 3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine

3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine (PubChem CID 176625728) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine.

Molecular Properties

Compound Name3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine
PubChem CID176625728
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cnc(-n4nccn4)c(F)c3)cc2)cc1
InChIInChI=1S/C23H21FN4O/c1-16-4-6-17(7-5-16)23(2,3)18-8-10-19(11-9-18)29-20-14-21(24)22(25-15-20)28-26-12-13-27-28/h4-15H,1-3H3
InChIKeyNJAJRBQAOBRCLH-UHFFFAOYSA-N
XLogP5.23
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine
CID 176626174
5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine
CID 176626365
2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine
CID 176626168
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine
CID 176626367
4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine
CID 176626406
5-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine
CID 176625960
4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzenethiol
CID 142069246
1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene
CID 159990763
1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
CID 163745611
3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine
CID 167437281
6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 176625631

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine?
The IUPAC name of 3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine (CID 176625728) is 3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine.
What is the SMILES notation for 3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine?
The canonical SMILES for 3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine is Cc1ccc(C(C)(C)c2ccc(Oc3cnc(-n4nccn4)c(F)c3)cc2)cc1.
What is the InChIKey of 3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine?
The InChIKey is NJAJRBQAOBRCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-16-4-6-17(7-5-16)23(2,3)18-8-10-19(11-9-18)29-20-14-21(24)22(25-15-20)28-26-12-13-27-28/h4-15H,1-3H3.
What are the key properties of 3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine?
3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine has a molecular weight of 388.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine is sourced from PubChem (CID 176625728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).