2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine

C28H27N5O2 — CID 59589581

IUPAC2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCOc1ccc(-c2cccc3nc(Cc4ccc(OCCNCc5ccccn5)cc4)nn23)cc1
InChIInChI=1S/C28H27N5O2/c1-34-24-14-10-22(11-15-24)26-6-4-7-28-31-27(32-33(26)28)19-21-8-12-25(13-9-21)35-18-17-29-20-23-5-2-3-16-30-23/h2-16,29H,17-20H2,1H3
InChIKeyAPYXWJWGSHKKHD-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.56
Rot. Bonds10

About 2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine

2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 59589581) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID59589581
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCOc1ccc(-c2cccc3nc(Cc4ccc(OCCNCc5ccccn5)cc4)nn23)cc1
InChIInChI=1S/C28H27N5O2/c1-34-24-14-10-22(11-15-24)26-6-4-7-28-31-27(32-33(26)28)19-21-8-12-25(13-9-21)35-18-17-29-20-23-5-2-3-16-30-23/h2-16,29H,17-20H2,1H3
InChIKeyAPYXWJWGSHKKHD-UHFFFAOYSA-N
XLogP4.56
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[2-[4-[3-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propyl]phenoxy]ethyl]ethanamine
CID 163584639
N-benzyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylethanamine
CID 59589871
N-[2-(dimethylamino)ethyl]-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]acetamide
CID 59589600
2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 59589555
2-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 108999224
N-benzyl-3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methylpropan-1-amine
CID 157056823
N',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine
CID 59590127
5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 59589851
5-(4-methoxyphenyl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44624294
2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 75465883
N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 101492526
2-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone
CID 149372489

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine (CID 59589581) is 2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine is COc1ccc(-c2cccc3nc(Cc4ccc(OCCNCc5ccccn5)cc4)nn23)cc1.
What is the InChIKey of 2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is APYXWJWGSHKKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-34-24-14-10-22(11-15-24)26-6-4-7-28-31-27(32-33(26)28)19-21-8-12-25(13-9-21)35-18-17-29-20-23-5-2-3-16-30-23/h2-16,29H,17-20H2,1H3.
What are the key properties of 2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine?
2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 465.56 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 59589581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).