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

C20H23N5O2 — CID 46225050

IUPAC2-methoxy-5-[3-methyl-5-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3C)C2)cn1
InChIInChI=1S/C20H23N5O2/c1-14-6-4-5-7-18(14)27-17-10-11-24(13-17)20-23-22-15(2)25(20)16-8-9-19(26-3)21-12-16/h4-9,12,17H,10-11,13H2,1-3H3/t17-/m1/s1
InChIKeyXHLKHNZUBYHMGL-QGZVFWFLSA-N
MW365.44 g/mol
LogP2.95
Rot. Bonds5

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

2-methoxy-5-[3-methyl-5-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine (PubChem CID 46225050) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-methoxy-5-[3-methyl-5-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[3-methyl-5-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine
PubChem CID46225050
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-methoxy-5-[3-methyl-5-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3C)C2)cn1
InChIInChI=1S/C20H23N5O2/c1-14-6-4-5-7-18(14)27-17-10-11-24(13-17)20-23-22-15(2)25(20)16-8-9-19(26-3)21-12-16/h4-9,12,17H,10-11,13H2,1-3H3/t17-/m1/s1
InChIKeyXHLKHNZUBYHMGL-QGZVFWFLSA-N
XLogP2.95
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-5-[3-methyl-5-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine with MolForge

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Related Compounds

4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341260
3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341278
US10399985, Example 36
CID 118288233
US10399985, Example 41
CID 118288257
1-[5-[4-(2-Ethyltetrazol-5-yl)phenoxy]-3-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278489
5-(3-(4-(3,5-difluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 46225048
10-[(1R)-1-(4-tert-butylpiperazin-1-yl)ethyl]-9-fluoro-2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 68312763
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
US10399985, Example 42
CID 118278135
US10399985, Example 35
CID 118278137
US10399985, Example 43
CID 118278179
US10399985, Example 32
CID 118278218

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-methyl-5-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine?
The IUPAC name of 2-methoxy-5-[3-methyl-5-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine (CID 46225050) is 2-methoxy-5-[3-methyl-5-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[3-methyl-5-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[3-methyl-5-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine is COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3C)C2)cn1.
What is the InChIKey of 2-methoxy-5-[3-methyl-5-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine?
The InChIKey is XHLKHNZUBYHMGL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-6-4-5-7-18(14)27-17-10-11-24(13-17)20-23-22-15(2)25(20)16-8-9-19(26-3)21-12-16/h4-9,12,17H,10-11,13H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-methoxy-5-[3-methyl-5-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine?
2-methoxy-5-[3-methyl-5-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine has a molecular weight of 365.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-methyl-5-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine is sourced from PubChem (CID 46225050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).