4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C26H28N6O3 — CID 46269284

IUPAC4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1N1CCN(C(=O)Cn2c(C)cc(=O)n3nc(-c4cccc(C)c4)nc23)CC1
InChIInChI=1S/C26H28N6O3/c1-18-7-6-8-20(15-18)25-27-26-31(19(2)16-23(33)32(26)28-25)17-24(34)30-13-11-29(12-14-30)21-9-4-5-10-22(21)35-3/h4-10,15-16H,11-14,17H2,1-3H3
InChIKeySAYMJCMKEANFHG-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.53
Rot. Bonds5

About 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 46269284) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID46269284
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1N1CCN(C(=O)Cn2c(C)cc(=O)n3nc(-c4cccc(C)c4)nc23)CC1
InChIInChI=1S/C26H28N6O3/c1-18-7-6-8-20(15-18)25-27-26-31(19(2)16-23(33)32(26)28-25)17-24(34)30-13-11-29(12-14-30)21-9-4-5-10-22(21)35-3/h4-10,15-16H,11-14,17H2,1-3H3
InChIKeySAYMJCMKEANFHG-UHFFFAOYSA-N
XLogP2.53
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-chlorophenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 50750642
2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 50750595
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 51046856
6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52902771
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 35293166
N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide
CID 87050342
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 53116428
6-cyclopropyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122160611
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline
CID 22330526
2-[3,5-dimethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 53154204
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-3H-1,4-benzoxazin-2-one
CID 39068783
2-[2-(azepan-1-yl)-2-oxoethyl]-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-one
CID 53023453

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 46269284) is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COc1ccccc1N1CCN(C(=O)Cn2c(C)cc(=O)n3nc(-c4cccc(C)c4)nc23)CC1.
What is the InChIKey of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SAYMJCMKEANFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-18-7-6-8-20(15-18)25-27-26-31(19(2)16-23(33)32(26)28-25)17-24(34)30-13-11-29(12-14-30)21-9-4-5-10-22(21)35-3/h4-10,15-16H,11-14,17H2,1-3H3.
What are the key properties of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 472.55 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46269284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).