[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone

C22H25N7O3 — CID 161402480

IUPAC[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ncc(N2CCN(C(=O)N3CCOCC3)CC2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H25N7O3/c1-16-19(21-26-25-20(32-21)17-5-3-2-4-6-17)24-18(15-23-16)27-7-9-28(10-8-27)22(30)29-11-13-31-14-12-29/h2-6,15H,7-14H2,1H3
InChIKeyCWMLRHSDGMTAFM-UHFFFAOYSA-N
MW435.49 g/mol
LogP2.08
Rot. Bonds3

About [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone

[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 161402480) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID161402480
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ncc(N2CCN(C(=O)N3CCOCC3)CC2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H25N7O3/c1-16-19(21-26-25-20(32-21)17-5-3-2-4-6-17)24-18(15-23-16)27-7-9-28(10-8-27)22(30)29-11-13-31-14-12-29/h2-6,15H,7-14H2,1H3
InChIKeyCWMLRHSDGMTAFM-UHFFFAOYSA-N
XLogP2.08
TPSA100.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone (CID 161402480) is [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone is Cc1ncc(N2CCN(C(=O)N3CCOCC3)CC2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is CWMLRHSDGMTAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-16-19(21-26-25-20(32-21)17-5-3-2-4-6-17)24-18(15-23-16)27-7-9-28(10-8-27)22(30)29-11-13-31-14-12-29/h2-6,15H,7-14H2,1H3.
What are the key properties of [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 435.49 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 161402480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).