3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole

C24H24N6O2 — CID 53182421

IUPAC3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole
SMILESCOc1ccccc1N1CCN(c2nnc(-c3nc(C4CC4)no3)c3ccccc23)CC1
InChIInChI=1S/C24H24N6O2/c1-31-20-9-5-4-8-19(20)29-12-14-30(15-13-29)23-18-7-3-2-6-17(18)21(26-27-23)24-25-22(28-32-24)16-10-11-16/h2-9,16H,10-15H2,1H3
InChIKeyXMJBHUUTUQPJNL-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.89
Rot. Bonds5

About 3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole (PubChem CID 53182421) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole
PubChem CID53182421
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole
SMILESCOc1ccccc1N1CCN(c2nnc(-c3nc(C4CC4)no3)c3ccccc23)CC1
InChIInChI=1S/C24H24N6O2/c1-31-20-9-5-4-8-19(20)29-12-14-30(15-13-29)23-18-7-3-2-6-17(18)21(26-27-23)24-25-22(28-32-24)16-10-11-16/h2-9,16H,10-15H2,1H3
InChIKeyXMJBHUUTUQPJNL-UHFFFAOYSA-N
XLogP3.89
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole
CID 53182405
3-cyclopropyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole
CID 53182452
2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
CID 90237473
6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline
CID 90236943
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine
CID 53182399
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 46265168
N-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine
CID 166680277
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 46265177
5-[1-(2-methoxyphenyl)pyrazol-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97446142
6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-3-ylquinazoline
CID 90237774
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 146080208
1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 53182242

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole (CID 53182421) is 3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole is COc1ccccc1N1CCN(c2nnc(-c3nc(C4CC4)no3)c3ccccc23)CC1.
What is the InChIKey of 3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole?
The InChIKey is XMJBHUUTUQPJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-31-20-9-5-4-8-19(20)29-12-14-30(15-13-29)23-18-7-3-2-6-17(18)21(26-27-23)24-25-22(28-32-24)16-10-11-16/h2-9,16H,10-15H2,1H3.
What are the key properties of 3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole has a molecular weight of 428.50 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53182421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).