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

C25H25ClN6O3 — CID 50750642

IUPAC2-(2-chlorophenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1N1CCN(C(=O)Cn2c(C)cc(=O)n3nc(-c4ccccc4Cl)nc23)CC1
InChIInChI=1S/C25H25ClN6O3/c1-17-15-22(33)32-25(27-24(28-32)18-7-3-4-8-19(18)26)31(17)16-23(34)30-13-11-29(12-14-30)20-9-5-6-10-21(20)35-2/h3-10,15H,11-14,16H2,1-2H3
InChIKeyMCYGZHMSGCHQSB-UHFFFAOYSA-N
MW492.97 g/mol
LogP2.88
Rot. Bonds5

About 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

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 (PubChem CID 50750642) has the molecular formula C25H25ClN6O3 and a molecular weight of 492.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID50750642
Molecular FormulaC25H25ClN6O3
Molecular Weight492.97 g/mol
Exact Mass492.17
IUPAC Name2-(2-chlorophenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1N1CCN(C(=O)Cn2c(C)cc(=O)n3nc(-c4ccccc4Cl)nc23)CC1
InChIInChI=1S/C25H25ClN6O3/c1-17-15-22(33)32-25(27-24(28-32)18-7-3-4-8-19(18)26)31(17)16-23(34)30-13-11-29(12-14-30)20-9-5-6-10-21(20)35-2/h3-10,15H,11-14,16H2,1-2H3
InChIKeyMCYGZHMSGCHQSB-UHFFFAOYSA-N
XLogP2.88
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.97
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
N-butyl-2-[2-(2-chlorophenyl)-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 50750565
2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 50750595
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42537622
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 51046856
2-[2-(azepan-1-yl)-2-oxoethyl]-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-one
CID 53023453
N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide
CID 87050342
[3-(2-chlorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3878165
6-cyclopropyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122160611
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 35293166
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
6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 53003918

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccccc1N1CCN(C(=O)Cn2c(C)cc(=O)n3nc(-c4ccccc4Cl)nc23)CC1.
What is the InChIKey of 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?
The InChIKey is MCYGZHMSGCHQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O3/c1-17-15-22(33)32-25(27-24(28-32)18-7-3-4-8-19(18)26)31(17)16-23(34)30-13-11-29(12-14-30)20-9-5-6-10-21(20)35-2/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 492.97 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 50750642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).