5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine

C19H16FN5O — CID 161435652

IUPAC5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2cncnc2)c2nncn12
InChIInChI=1S/C19H16FN5O/c1-26-18-4-2-3-17(20)16(18)8-6-14-5-7-15(13-9-21-11-22-10-13)19-24-23-12-25(14)19/h2-5,7,9-12H,6,8H2,1H3
InChIKeyVYPMBFPBNFLPCC-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.12
Rot. Bonds5

About 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 161435652) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID161435652
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2cncnc2)c2nncn12
InChIInChI=1S/C19H16FN5O/c1-26-18-4-2-3-17(20)16(18)8-6-14-5-7-15(13-9-21-11-22-10-13)19-24-23-12-25(14)19/h2-5,7,9-12H,6,8H2,1H3
InChIKeyVYPMBFPBNFLPCC-UHFFFAOYSA-N
XLogP3.12
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 161435652) is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc(F)c1CCc1ccc(-c2cncnc2)c2nncn12.
What is the InChIKey of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VYPMBFPBNFLPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-26-18-4-2-3-17(20)16(18)8-6-14-5-7-15(13-9-21-11-22-10-13)19-24-23-12-25(14)19/h2-5,7,9-12H,6,8H2,1H3.
What are the key properties of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine?
5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 349.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 161435652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).