5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

C22H28N8O3S — CID 66744487

IUPAC5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCCS(=O)(=O)N1C2CCC1CN(c1cnc(N)c(-c3nnc(-c4ccc(CNC)cc4)o3)n1)C2
InChIInChI=1S/C22H28N8O3S/c1-3-34(31,32)30-16-8-9-17(30)13-29(12-16)18-11-25-20(23)19(26-18)22-28-27-21(33-22)15-6-4-14(5-7-15)10-24-2/h4-7,11,16-17,24H,3,8-10,12-13H2,1-2H3,(H2,23,25)
InChIKeyUFSYFRGWBGSGHV-UHFFFAOYSA-N
MW484.59 g/mol
LogP1.50
Rot. Bonds7

About 5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (PubChem CID 66744487) has the molecular formula C22H28N8O3S and a molecular weight of 484.59 g/mol. Its IUPAC name is 5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
PubChem CID66744487
Molecular FormulaC22H28N8O3S
Molecular Weight484.59 g/mol
Exact Mass484.20
IUPAC Name5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCCS(=O)(=O)N1C2CCC1CN(c1cnc(N)c(-c3nnc(-c4ccc(CNC)cc4)o3)n1)C2
InChIInChI=1S/C22H28N8O3S/c1-3-34(31,32)30-16-8-9-17(30)13-29(12-16)18-11-25-20(23)19(26-18)22-28-27-21(33-22)15-6-4-14(5-7-15)10-24-2/h4-7,11,16-17,24H,3,8-10,12-13H2,1-2H3,(H2,23,25)
InChIKeyUFSYFRGWBGSGHV-UHFFFAOYSA-N
XLogP1.50
TPSA143.37 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine 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 5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The IUPAC name of 5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (CID 66744487) is 5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.
What is the SMILES notation for 5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The canonical SMILES for 5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is CCS(=O)(=O)N1C2CCC1CN(c1cnc(N)c(-c3nnc(-c4ccc(CNC)cc4)o3)n1)C2.
What is the InChIKey of 5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The InChIKey is UFSYFRGWBGSGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O3S/c1-3-34(31,32)30-16-8-9-17(30)13-29(12-16)18-11-25-20(23)19(26-18)22-28-27-21(33-22)15-6-4-14(5-7-15)10-24-2/h4-7,11,16-17,24H,3,8-10,12-13H2,1-2H3,(H2,23,25).
What are the key properties of 5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine has a molecular weight of 484.59 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 66744487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).