3-[4-(2-ethyl-5-fluoro-2-methylpentyl)triazol-1-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine

C20H30FN5O — CID 44555505

IUPAC3-[4-(2-ethyl-5-fluoro-2-methylpentyl)triazol-1-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCCC(C)(CCCF)Cc1cn(-c2cncc(OC[C@@H]3CCN3C)c2)nn1
InChIInChI=1S/C20H30FN5O/c1-4-20(2,7-5-8-21)11-16-14-26(24-23-16)18-10-19(13-22-12-18)27-15-17-6-9-25(17)3/h10,12-14,17H,4-9,11,15H2,1-3H3/t17-,20?/m0/s1
InChIKeyHWHWOTNYQPTAGM-DIMJTDRSSA-N
MW375.49 g/mol
LogP3.45
Rot. Bonds10

About 3-[4-(2-ethyl-5-fluoro-2-methylpentyl)triazol-1-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine

3-[4-(2-ethyl-5-fluoro-2-methylpentyl)triazol-1-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (PubChem CID 44555505) has the molecular formula C20H30FN5O and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-[4-(2-ethyl-5-fluoro-2-methylpentyl)triazol-1-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[4-(2-ethyl-5-fluoro-2-methylpentyl)triazol-1-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
PubChem CID44555505
Molecular FormulaC20H30FN5O
Molecular Weight375.49 g/mol
Exact Mass375.24
IUPAC Name3-[4-(2-ethyl-5-fluoro-2-methylpentyl)triazol-1-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCCC(C)(CCCF)Cc1cn(-c2cncc(OC[C@@H]3CCN3C)c2)nn1
InChIInChI=1S/C20H30FN5O/c1-4-20(2,7-5-8-21)11-16-14-26(24-23-16)18-10-19(13-22-12-18)27-15-17-6-9-25(17)3/h10,12-14,17H,4-9,11,15H2,1-3H3/t17-,20?/m0/s1
InChIKeyHWHWOTNYQPTAGM-DIMJTDRSSA-N
XLogP3.45
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethyl-5-fluoro-2-methylpentyl)triazol-1-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-[4-(2-ethyl-5-fluoro-2-methylpentyl)triazol-1-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (CID 44555505) is 3-[4-(2-ethyl-5-fluoro-2-methylpentyl)triazol-1-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-[4-(2-ethyl-5-fluoro-2-methylpentyl)triazol-1-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-[4-(2-ethyl-5-fluoro-2-methylpentyl)triazol-1-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is CCC(C)(CCCF)Cc1cn(-c2cncc(OC[C@@H]3CCN3C)c2)nn1.
What is the InChIKey of 3-[4-(2-ethyl-5-fluoro-2-methylpentyl)triazol-1-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The InChIKey is HWHWOTNYQPTAGM-DIMJTDRSSA-N. The full InChI is InChI=1S/C20H30FN5O/c1-4-20(2,7-5-8-21)11-16-14-26(24-23-16)18-10-19(13-22-12-18)27-15-17-6-9-25(17)3/h10,12-14,17H,4-9,11,15H2,1-3H3/t17-,20?/m0/s1.
What are the key properties of 3-[4-(2-ethyl-5-fluoro-2-methylpentyl)triazol-1-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
3-[4-(2-ethyl-5-fluoro-2-methylpentyl)triazol-1-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine has a molecular weight of 375.49 g/mol, XLogP of 3.45, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethyl-5-fluoro-2-methylpentyl)triazol-1-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 44555505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).