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

C23H23N7O3 — CID 54674976

IUPAC5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C5CCOC5)c4)cnc3N)o2)cc1
InChIInChI=1S/C23H23N7O3/c1-25-10-14-2-4-15(5-3-14)22-28-29-23(33-22)20-21(24)26-11-18(27-20)16-6-7-19(31)30(12-16)17-8-9-32-13-17/h2-7,11-12,17,25H,8-10,13H2,1H3,(H2,24,26)
InChIKeyLDLOMVMFEAGZAX-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.29
Rot. Bonds6

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

5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one (PubChem CID 54674976) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one
PubChem CID54674976
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C5CCOC5)c4)cnc3N)o2)cc1
InChIInChI=1S/C23H23N7O3/c1-25-10-14-2-4-15(5-3-14)22-28-29-23(33-22)20-21(24)26-11-18(27-20)16-6-7-19(31)30(12-16)17-8-9-32-13-17/h2-7,11-12,17,25H,8-10,13H2,1H3,(H2,24,26)
InChIKeyLDLOMVMFEAGZAX-UHFFFAOYSA-N
XLogP2.29
TPSA133.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one?
The IUPAC name of 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one (CID 54674976) is 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C5CCOC5)c4)cnc3N)o2)cc1.
What is the InChIKey of 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one?
The InChIKey is LDLOMVMFEAGZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-25-10-14-2-4-15(5-3-14)22-28-29-23(33-22)20-21(24)26-11-18(27-20)16-6-7-19(31)30(12-16)17-8-9-32-13-17/h2-7,11-12,17,25H,8-10,13H2,1H3,(H2,24,26).
What are the key properties of 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one?
5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one has a molecular weight of 445.48 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one is sourced from PubChem (CID 54674976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).