5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

C25H27N7O — CID 133310455

IUPAC5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(CN2CCN(c3nc(-c4cccnc4)nc(C)c3C)CC2)n1
InChIInChI=1S/C25H27N7O/c1-17-7-4-5-9-21(17)24-28-22(33-30-24)16-31-11-13-32(14-12-31)25-18(2)19(3)27-23(29-25)20-8-6-10-26-15-20/h4-10,15H,11-14,16H2,1-3H3
InChIKeyRMZXPOOUFHSHCD-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.84
Rot. Bonds5

About 5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 133310455) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID133310455
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(CN2CCN(c3nc(-c4cccnc4)nc(C)c3C)CC2)n1
InChIInChI=1S/C25H27N7O/c1-17-7-4-5-9-21(17)24-28-22(33-30-24)16-31-11-13-32(14-12-31)25-18(2)19(3)27-23(29-25)20-8-6-10-26-15-20/h4-10,15H,11-14,16H2,1-3H3
InChIKeyRMZXPOOUFHSHCD-UHFFFAOYSA-N
XLogP3.84
TPSA84.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971
4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
CID 133317098
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 82169373
3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51312105
5-[[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 91838471
N-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 78832807
5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 86774882
4,5-dimethyl-2-[[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]phenol
CID 46443595
4-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]benzenesulfonamide
CID 78896377
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 55477935
3-(2-methylphenyl)-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 133418498
3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 51283276

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 133310455) is 5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccccc1-c1noc(CN2CCN(c3nc(-c4cccnc4)nc(C)c3C)CC2)n1.
What is the InChIKey of 5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is RMZXPOOUFHSHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-17-7-4-5-9-21(17)24-28-22(33-30-24)16-31-11-13-32(14-12-31)25-18(2)19(3)27-23(29-25)20-8-6-10-26-15-20/h4-10,15H,11-14,16H2,1-3H3.
What are the key properties of 5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 441.54 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 133310455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).