2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one

C20H23N7O3 — CID 91950920

IUPAC2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one
SMILESCc1noc(-c2cnc(C)n(CCC(=O)N3CCN(c4ccccn4)CC3)c2=O)n1
InChIInChI=1S/C20H23N7O3/c1-14-23-19(30-24-14)16-13-22-15(2)27(20(16)29)8-6-18(28)26-11-9-25(10-12-26)17-5-3-4-7-21-17/h3-5,7,13H,6,8-12H2,1-2H3
InChIKeyQFBPXXKMUKRPLU-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.04
Rot. Bonds5

About 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one

2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one (PubChem CID 91950920) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one
PubChem CID91950920
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC Name2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one
SMILESCc1noc(-c2cnc(C)n(CCC(=O)N3CCN(c4ccccn4)CC3)c2=O)n1
InChIInChI=1S/C20H23N7O3/c1-14-23-19(30-24-14)16-13-22-15(2)27(20(16)29)8-6-18(28)26-11-9-25(10-12-26)17-5-3-4-7-21-17/h3-5,7,13H,6,8-12H2,1-2H3
InChIKeyQFBPXXKMUKRPLU-UHFFFAOYSA-N
XLogP1.04
TPSA110.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[3-(azepan-1-yl)-3-oxopropyl]-2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one
CID 91950950
1-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]-2-phenylethanone
CID 133328444
4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione
CID 113202736
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
5,6-dimethyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one
CID 18148182
8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one
CID 51272117
(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7974830
(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 92543665
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86924247
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110678855
2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110680076

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one?
The IUPAC name of 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one (CID 91950920) is 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one?
The canonical SMILES for 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one is Cc1noc(-c2cnc(C)n(CCC(=O)N3CCN(c4ccccn4)CC3)c2=O)n1.
What is the InChIKey of 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one?
The InChIKey is QFBPXXKMUKRPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-14-23-19(30-24-14)16-13-22-15(2)27(20(16)29)8-6-18(28)26-11-9-25(10-12-26)17-5-3-4-7-21-17/h3-5,7,13H,6,8-12H2,1-2H3.
What are the key properties of 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one?
2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one has a molecular weight of 409.45 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one is sourced from PubChem (CID 91950920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).