N-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine

C22H22N8O2 — CID 66828257

IUPACN-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine
SMILESCNc1cnc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cn2)cn1
InChIInChI=1S/C22H22N8O2/c1-23-19-10-25-18(9-26-19)17-4-3-15(8-24-17)22(5-2-6-22)21-28-20(32-29-21)14-7-27-30(11-14)16-12-31-13-16/h3-4,7-11,16H,2,5-6,12-13H2,1H3,(H,23,26)
InChIKeyZAHIMRAMKMLSAI-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.87
Rot. Bonds6

About N-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine

N-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine (PubChem CID 66828257) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine
PubChem CID66828257
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC NameN-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine
SMILESCNc1cnc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cn2)cn1
InChIInChI=1S/C22H22N8O2/c1-23-19-10-25-18(9-26-19)17-4-3-15(8-24-17)22(5-2-6-22)21-28-20(32-29-21)14-7-27-30(11-14)16-12-31-13-16/h3-4,7-11,16H,2,5-6,12-13H2,1H3,(H,23,26)
InChIKeyZAHIMRAMKMLSAI-UHFFFAOYSA-N
XLogP2.87
TPSA116.67 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]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 N-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine (CID 66828257) is N-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine is CNc1cnc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cn2)cn1.
What is the InChIKey of N-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine?
The InChIKey is ZAHIMRAMKMLSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2/c1-23-19-10-25-18(9-26-19)17-4-3-15(8-24-17)22(5-2-6-22)21-28-20(32-29-21)14-7-27-30(11-14)16-12-31-13-16/h3-4,7-11,16H,2,5-6,12-13H2,1H3,(H,23,26).
What are the key properties of N-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine?
N-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine has a molecular weight of 430.47 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 66828257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).