2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C20H26N6O2 — CID 92853192

IUPAC2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCc1noc([C@@H](C)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)n1
InChIInChI=1S/C20H26N6O2/c1-3-6-17-22-20(28-23-17)15(2)25-11-9-24(10-12-25)14-16-13-19(27)26-8-5-4-7-18(26)21-16/h4-5,7-8,13,15H,3,6,9-12,14H2,1-2H3/t15-/m1/s1
InChIKeyFJLZXOOGIBTXBW-OAHLLOKOSA-N
MW382.47 g/mol
LogP1.91
Rot. Bonds6

About 2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 92853192) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID92853192
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCc1noc([C@@H](C)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)n1
InChIInChI=1S/C20H26N6O2/c1-3-6-17-22-20(28-23-17)15(2)25-11-9-24(10-12-25)14-16-13-19(27)26-8-5-4-7-18(26)21-16/h4-5,7-8,13,15H,3,6,9-12,14H2,1-2H3/t15-/m1/s1
InChIKeyFJLZXOOGIBTXBW-OAHLLOKOSA-N
XLogP1.91
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42949483
5-[(1R)-1-(4-ethylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-oxadiazole
CID 94000629
5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 39985790
3-methyl-5-[(1R)-1-[4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95280155
3-propyl-5-[(1S)-1-(4-propylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95285928
2-[(4-hydroxypiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42883595
2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55564882
3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 56684956
2-[(2,2-dimethylmorpholin-4-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 86984153
5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 95159602
2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 104975427
2-[[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97253121

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 92853192) is 2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is CCCc1noc([C@@H](C)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)n1.
What is the InChIKey of 2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FJLZXOOGIBTXBW-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-3-6-17-22-20(28-23-17)15(2)25-11-9-24(10-12-25)14-16-13-19(27)26-8-5-4-7-18(26)21-16/h4-5,7-8,13,15H,3,6,9-12,14H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 382.47 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 92853192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).