2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine

C25H23N5O2 — CID 59589555

IUPAC2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(-c2cccc3nc(Cc4cccc(OCCn5ccnc5)c4)nn23)cc1
InChIInChI=1S/C25H23N5O2/c1-31-21-10-8-20(9-11-21)23-6-3-7-25-27-24(28-30(23)25)17-19-4-2-5-22(16-19)32-15-14-29-13-12-26-18-29/h2-13,16,18H,14-15,17H2,1H3
InChIKeyVQPVHDUPPMPYGG-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.27
Rot. Bonds8

About 2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine

2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 59589555) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID59589555
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(-c2cccc3nc(Cc4cccc(OCCn5ccnc5)c4)nn23)cc1
InChIInChI=1S/C25H23N5O2/c1-31-21-10-8-20(9-11-21)23-6-3-7-25-27-24(28-30(23)25)17-19-4-2-5-22(16-19)32-15-14-29-13-12-26-18-29/h2-13,16,18H,14-15,17H2,1H3
InChIKeyVQPVHDUPPMPYGG-UHFFFAOYSA-N
XLogP4.27
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 59589851
N-benzyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylethanamine
CID 59589871
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
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',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
N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 60882800
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine
CID 60883624
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-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61494562
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-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 59589555) is 2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc(-c2cccc3nc(Cc4cccc(OCCn5ccnc5)c4)nn23)cc1.
What is the InChIKey of 2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is VQPVHDUPPMPYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-31-21-10-8-20(9-11-21)23-6-3-7-25-27-24(28-30(23)25)17-19-4-2-5-22(16-19)32-15-14-29-13-12-26-18-29/h2-13,16,18H,14-15,17H2,1H3.
What are the key properties of 2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 425.49 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 59589555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).