2-cyclopropyl-5-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-1,3,4-oxadiazole

C20H23N5O3 — CID 24876865

IUPAC2-cyclopropyl-5-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESCOc1cc2cnnc(N3CCC(c4nnc(C5CC5)o4)CC3)c2cc1OC
InChIInChI=1S/C20H23N5O3/c1-26-16-9-14-11-21-22-18(15(14)10-17(16)27-2)25-7-5-13(6-8-25)20-24-23-19(28-20)12-3-4-12/h9-13H,3-8H2,1-2H3
InChIKeyGKEPADNZDWSKFV-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.29
Rot. Bonds5

About 2-cyclopropyl-5-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-1,3,4-oxadiazole

2-cyclopropyl-5-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-1,3,4-oxadiazole (PubChem CID 24876865) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-cyclopropyl-5-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-1,3,4-oxadiazole
PubChem CID24876865
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-cyclopropyl-5-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESCOc1cc2cnnc(N3CCC(c4nnc(C5CC5)o4)CC3)c2cc1OC
InChIInChI=1S/C20H23N5O3/c1-26-16-9-14-11-21-22-18(15(14)10-17(16)27-2)25-7-5-13(6-8-25)20-24-23-19(28-20)12-3-4-12/h9-13H,3-8H2,1-2H3
InChIKeyGKEPADNZDWSKFV-UHFFFAOYSA-N
XLogP3.29
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-1,3,4-oxadiazole (CID 24876865) is 2-cyclopropyl-5-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-1,3,4-oxadiazole is COc1cc2cnnc(N3CCC(c4nnc(C5CC5)o4)CC3)c2cc1OC.
What is the InChIKey of 2-cyclopropyl-5-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is GKEPADNZDWSKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-26-16-9-14-11-21-22-18(15(14)10-17(16)27-2)25-7-5-13(6-8-25)20-24-23-19(28-20)12-3-4-12/h9-13H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 381.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 24876865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).