6-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 66828255

IUPAC6-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine
SMILESCc1nc(N)cnc1-c1ccc(C2(c3noc(-c4cnn(C5COC5)c4)n3)CCC2)cn1
InChIInChI=1S/C22H22N8O2/c1-13-19(25-9-18(23)27-13)17-4-3-15(8-24-17)22(5-2-6-22)21-28-20(32-29-21)14-7-26-30(10-14)16-11-31-12-16/h3-4,7-10,16H,2,5-6,11-12H2,1H3,(H2,23,27)
InChIKeyOXLWYZPDXYMXOV-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.72
Rot. Bonds5

About 6-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine

6-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 66828255) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 6-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 Name6-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 CID66828255
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name6-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine
SMILESCc1nc(N)cnc1-c1ccc(C2(c3noc(-c4cnn(C5COC5)c4)n3)CCC2)cn1
InChIInChI=1S/C22H22N8O2/c1-13-19(25-9-18(23)27-13)17-4-3-15(8-24-17)22(5-2-6-22)21-28-20(32-29-21)14-7-26-30(10-14)16-11-31-12-16/h3-4,7-10,16H,2,5-6,11-12H2,1H3,(H2,23,27)
InChIKeyOXLWYZPDXYMXOV-UHFFFAOYSA-N
XLogP2.72
TPSA130.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-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

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Frequently Asked Questions

What is the IUPAC name of 6-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 6-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 66828255) is 6-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 6-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 6-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 Cc1nc(N)cnc1-c1ccc(C2(c3noc(-c4cnn(C5COC5)c4)n3)CCC2)cn1.
What is the InChIKey of 6-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 OXLWYZPDXYMXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2/c1-13-19(25-9-18(23)27-13)17-4-3-15(8-24-17)22(5-2-6-22)21-28-20(32-29-21)14-7-26-30(10-14)16-11-31-12-16/h3-4,7-10,16H,2,5-6,11-12H2,1H3,(H2,23,27).
What are the key properties of 6-methyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine?
6-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 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-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 66828255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).