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

C23H25N7O4 — CID 54672752

IUPAC5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)CO)c4)cnc3N)o2)c(OC)c1
InChIInChI=1S/C23H25N7O4/c1-13(12-31)30-11-15(5-7-19(30)32)17-10-26-21(24)20(27-17)23-29-28-22(34-23)16-6-4-14(9-25-2)8-18(16)33-3/h4-8,10-11,13,25,31H,9,12H2,1-3H3,(H2,24,26)
InChIKeyPJBVGLJGQQOLBX-UHFFFAOYSA-N
MW463.50 g/mol
LogP1.89
Rot. Bonds8

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

5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one (PubChem CID 54672752) has the molecular formula C23H25N7O4 and a molecular weight of 463.50 g/mol. Its IUPAC name is 5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one
PubChem CID54672752
Molecular FormulaC23H25N7O4
Molecular Weight463.50 g/mol
Exact Mass463.20
IUPAC Name5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)CO)c4)cnc3N)o2)c(OC)c1
InChIInChI=1S/C23H25N7O4/c1-13(12-31)30-11-15(5-7-19(30)32)17-10-26-21(24)20(27-17)23-29-28-22(34-23)16-6-4-14(9-25-2)8-18(16)33-3/h4-8,10-11,13,25,31H,9,12H2,1-3H3,(H2,24,26)
InChIKeyPJBVGLJGQQOLBX-UHFFFAOYSA-N
XLogP1.89
TPSA154.21 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one?
The IUPAC name of 5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one (CID 54672752) is 5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)CO)c4)cnc3N)o2)c(OC)c1.
What is the InChIKey of 5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one?
The InChIKey is PJBVGLJGQQOLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O4/c1-13(12-31)30-11-15(5-7-19(30)32)17-10-26-21(24)20(27-17)23-29-28-22(34-23)16-6-4-14(9-25-2)8-18(16)33-3/h4-8,10-11,13,25,31H,9,12H2,1-3H3,(H2,24,26).
What are the key properties of 5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one?
5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one has a molecular weight of 463.50 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one is sourced from PubChem (CID 54672752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).