2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide

C25H27N7O2 — CID 46094632

IUPAC2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(-c2cc(N3CCN(CC(=O)N(C)c4ccccc4)CC3)n3ncnc3n2)cc1
InChIInChI=1S/C25H27N7O2/c1-29(20-6-4-3-5-7-20)24(33)17-30-12-14-31(15-13-30)23-16-22(28-25-26-18-27-32(23)25)19-8-10-21(34-2)11-9-19/h3-11,16,18H,12-15,17H2,1-2H3
InChIKeyAWXPXWADIGFPCT-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.58
Rot. Bonds6

About 2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide

2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 46094632) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID46094632
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(-c2cc(N3CCN(CC(=O)N(C)c4ccccc4)CC3)n3ncnc3n2)cc1
InChIInChI=1S/C25H27N7O2/c1-29(20-6-4-3-5-7-20)24(33)17-30-12-14-31(15-13-30)23-16-22(28-25-26-18-27-32(23)25)19-8-10-21(34-2)11-9-19/h3-11,16,18H,12-15,17H2,1-2H3
InChIKeyAWXPXWADIGFPCT-UHFFFAOYSA-N
XLogP2.58
TPSA79.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 126474089
5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46094521
N-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 3227303
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 9129867
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 35231408
[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 3227252
methyl 2-[4-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]acetate
CID 133287591
4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole
CID 127652721
2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 133272950
(3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 95649125
N-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide
CID 154751124
7-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 18191273

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide (CID 46094632) is 2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide is COc1ccc(-c2cc(N3CCN(CC(=O)N(C)c4ccccc4)CC3)n3ncnc3n2)cc1.
What is the InChIKey of 2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is AWXPXWADIGFPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-29(20-6-4-3-5-7-20)24(33)17-30-12-14-31(15-13-30)23-16-22(28-25-26-18-27-32(23)25)19-8-10-21(34-2)11-9-19/h3-11,16,18H,12-15,17H2,1-2H3.
What are the key properties of 2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide?
2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 457.54 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 46094632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).