5-[3-[(3R)-3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine

C20H22FN5O2 — CID 46225051

IUPAC5-[3-[(3R)-3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccc(F)cc3C)C2)cn1
InChIInChI=1S/C20H22FN5O2/c1-13-10-15(21)4-6-18(13)28-17-8-9-25(12-17)20-24-23-14(2)26(20)16-5-7-19(27-3)22-11-16/h4-7,10-11,17H,8-9,12H2,1-3H3/t17-/m1/s1
InChIKeyWUWFMAPHIGQASK-QGZVFWFLSA-N
MW383.43 g/mol
LogP3.08
Rot. Bonds5

About 5-[3-[(3R)-3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine

5-[3-[(3R)-3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine (PubChem CID 46225051) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 5-[3-[(3R)-3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[3-[(3R)-3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
PubChem CID46225051
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name5-[3-[(3R)-3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccc(F)cc3C)C2)cn1
InChIInChI=1S/C20H22FN5O2/c1-13-10-15(21)4-6-18(13)28-17-8-9-25(12-17)20-24-23-14(2)26(20)16-5-7-19(27-3)22-11-16/h4-7,10-11,17H,8-9,12H2,1-3H3/t17-/m1/s1
InChIKeyWUWFMAPHIGQASK-QGZVFWFLSA-N
XLogP3.08
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3R)-3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
The IUPAC name of 5-[3-[(3R)-3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine (CID 46225051) is 5-[3-[(3R)-3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[3-[(3R)-3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
The canonical SMILES for 5-[3-[(3R)-3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine is COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccc(F)cc3C)C2)cn1.
What is the InChIKey of 5-[3-[(3R)-3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
The InChIKey is WUWFMAPHIGQASK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-13-10-15(21)4-6-18(13)28-17-8-9-25(12-17)20-24-23-14(2)26(20)16-5-7-19(27-3)22-11-16/h4-7,10-11,17H,8-9,12H2,1-3H3/t17-/m1/s1.
What are the key properties of 5-[3-[(3R)-3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
5-[3-[(3R)-3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine has a molecular weight of 383.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3R)-3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine is sourced from PubChem (CID 46225051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).