[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C22H23N7O3 — CID 55819178

IUPAC[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCOc1ccc(-c2noc(CN3CCN(C(=O)c4c(C)nn5cccnc45)CC3)n2)cc1
InChIInChI=1S/C22H23N7O3/c1-15-19(21-23-8-3-9-29(21)25-15)22(30)28-12-10-27(11-13-28)14-18-24-20(26-32-18)16-4-6-17(31-2)7-5-16/h3-9H,10-14H2,1-2H3
InChIKeyFAYFXEHVQOPKDU-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.05
Rot. Bonds5

About [4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 55819178) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is [4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID55819178
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCOc1ccc(-c2noc(CN3CCN(C(=O)c4c(C)nn5cccnc45)CC3)n2)cc1
InChIInChI=1S/C22H23N7O3/c1-15-19(21-23-8-3-9-29(21)25-15)22(30)28-12-10-27(11-13-28)14-18-24-20(26-32-18)16-4-6-17(31-2)7-5-16/h3-9H,10-14H2,1-2H3
InChIKeyFAYFXEHVQOPKDU-UHFFFAOYSA-N
XLogP2.05
TPSA101.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone with MolForge

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Related Compounds

[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 26113719
(4-methoxyphenyl)-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 78848111
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 17481191
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-one
CID 39686604
4-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]benzonitrile
CID 134051793
(6-ethoxy-3-pyridinyl)-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 47048163
[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 46572988
(3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone
CID 55967327
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 30461958
3,4-dimethyl-5-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 112831993
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 134051757
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87044934

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of [4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 55819178) is [4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for [4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for [4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is COc1ccc(-c2noc(CN3CCN(C(=O)c4c(C)nn5cccnc45)CC3)n2)cc1.
What is the InChIKey of [4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is FAYFXEHVQOPKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-15-19(21-23-8-3-9-29(21)25-15)22(30)28-12-10-27(11-13-28)14-18-24-20(26-32-18)16-4-6-17(31-2)7-5-16/h3-9H,10-14H2,1-2H3.
What are the key properties of [4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 433.47 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 55819178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).