5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclobutylpyridin-2-one

C24H25N7O2 — CID 54672751

IUPAC5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclobutylpyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C5CCC5)c4)cnc3N)o2)c(C)c1
InChIInChI=1S/C24H25N7O2/c1-14-10-15(11-26-2)6-8-18(14)23-29-30-24(33-23)21-22(25)27-12-19(28-21)16-7-9-20(32)31(13-16)17-4-3-5-17/h6-10,12-13,17,26H,3-5,11H2,1-2H3,(H2,25,27)
InChIKeyZPNXCBXDQCHXKM-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.36
Rot. Bonds6

About 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclobutylpyridin-2-one

5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclobutylpyridin-2-one (PubChem CID 54672751) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclobutylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclobutylpyridin-2-one
PubChem CID54672751
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclobutylpyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C5CCC5)c4)cnc3N)o2)c(C)c1
InChIInChI=1S/C24H25N7O2/c1-14-10-15(11-26-2)6-8-18(14)23-29-30-24(33-23)21-22(25)27-12-19(28-21)16-7-9-20(32)31(13-16)17-4-3-5-17/h6-10,12-13,17,26H,3-5,11H2,1-2H3,(H2,25,27)
InChIKeyZPNXCBXDQCHXKM-UHFFFAOYSA-N
XLogP3.36
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclobutylpyridin-2-one?
The IUPAC name of 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclobutylpyridin-2-one (CID 54672751) is 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclobutylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclobutylpyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclobutylpyridin-2-one is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C5CCC5)c4)cnc3N)o2)c(C)c1.
What is the InChIKey of 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclobutylpyridin-2-one?
The InChIKey is ZPNXCBXDQCHXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-14-10-15(11-26-2)6-8-18(14)23-29-30-24(33-23)21-22(25)27-12-19(28-21)16-7-9-20(32)31(13-16)17-4-3-5-17/h6-10,12-13,17,26H,3-5,11H2,1-2H3,(H2,25,27).
What are the key properties of 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclobutylpyridin-2-one?
5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclobutylpyridin-2-one has a molecular weight of 443.51 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclobutylpyridin-2-one is sourced from PubChem (CID 54672751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).