2-methoxy-N-[2-[4-[3-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propyl]phenoxy]ethyl]ethanamine

C27H32N4O3 — CID 163584639

IUPAC2-methoxy-N-[2-[4-[3-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propyl]phenoxy]ethyl]ethanamine
SMILESCOCCNCCOc1ccc(CCCc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1
InChIInChI=1S/C27H32N4O3/c1-32-19-17-28-18-20-34-24-13-9-21(10-14-24)5-3-7-26-29-27-8-4-6-25(31(27)30-26)22-11-15-23(33-2)16-12-22/h4,6,8-16,28H,3,5,7,17-20H2,1-2H3
InChIKeyGKMFQPJQRGEZGY-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.20
Rot. Bonds13

About 2-methoxy-N-[2-[4-[3-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propyl]phenoxy]ethyl]ethanamine

2-methoxy-N-[2-[4-[3-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propyl]phenoxy]ethyl]ethanamine (PubChem CID 163584639) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-methoxy-N-[2-[4-[3-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propyl]phenoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[2-[4-[3-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propyl]phenoxy]ethyl]ethanamine
PubChem CID163584639
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name2-methoxy-N-[2-[4-[3-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propyl]phenoxy]ethyl]ethanamine
SMILESCOCCNCCOc1ccc(CCCc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1
InChIInChI=1S/C27H32N4O3/c1-32-19-17-28-18-20-34-24-13-9-21(10-14-24)5-3-7-26-29-27-8-4-6-25(31(27)30-26)22-11-15-23(33-2)16-12-22/h4,6,8-16,28H,3,5,7,17-20H2,1-2H3
InChIKeyGKMFQPJQRGEZGY-UHFFFAOYSA-N
XLogP4.20
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.20
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-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine
CID 59589581
N-benzyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylethanamine
CID 59589871
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-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
N-[(4-methoxyphenyl)methyl]-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline
CID 59589933
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-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone
CID 149372489
2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 59589555
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
3-(4-ethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503762
5-(4-methoxyphenyl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44624294
5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 59589851

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[4-[3-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propyl]phenoxy]ethyl]ethanamine?
The IUPAC name of 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) is 2-methoxy-N-[2-[4-[3-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propyl]phenoxy]ethyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[2-[4-[3-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propyl]phenoxy]ethyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[2-[4-[3-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propyl]phenoxy]ethyl]ethanamine is COCCNCCOc1ccc(CCCc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1.
What is the InChIKey of 2-methoxy-N-[2-[4-[3-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propyl]phenoxy]ethyl]ethanamine?
The InChIKey is GKMFQPJQRGEZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-32-19-17-28-18-20-34-24-13-9-21(10-14-24)5-3-7-26-29-27-8-4-6-25(31(27)30-26)22-11-15-23(33-2)16-12-22/h4,6,8-16,28H,3,5,7,17-20H2,1-2H3.
What are the key properties of 2-methoxy-N-[2-[4-[3-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propyl]phenoxy]ethyl]ethanamine?
2-methoxy-N-[2-[4-[3-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propyl]phenoxy]ethyl]ethanamine has a molecular weight of 460.58 g/mol, XLogP of 4.20, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[4-[3-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propyl]phenoxy]ethyl]ethanamine is sourced from PubChem (CID 163584639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).