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

C24H25N7O4 — CID 54674975

IUPAC5-[5-amino-6-[5-[2-methoxy-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)c(OC)c1
InChIInChI=1S/C24H25N7O4/c1-26-10-14-3-5-17(19(9-14)33-2)23-29-30-24(35-23)21-22(25)27-11-18(28-21)15-4-6-20(32)31(12-15)16-7-8-34-13-16/h3-6,9,11-12,16,26H,7-8,10,13H2,1-2H3,(H2,25,27)
InChIKeyXDPBCBAOBFEZHB-UHFFFAOYSA-N
MW475.51 g/mol
LogP2.29
Rot. Bonds7

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

5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one (PubChem CID 54674975) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 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-(oxolan-3-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-(oxolan-3-yl)pyridin-2-one
PubChem CID54674975
Molecular FormulaC24H25N7O4
Molecular Weight475.51 g/mol
Exact Mass475.20
IUPAC Name5-[5-amino-6-[5-[2-methoxy-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)c(OC)c1
InChIInChI=1S/C24H25N7O4/c1-26-10-14-3-5-17(19(9-14)33-2)23-29-30-24(35-23)21-22(25)27-11-18(28-21)15-4-6-20(32)31(12-15)16-7-8-34-13-16/h3-6,9,11-12,16,26H,7-8,10,13H2,1-2H3,(H2,25,27)
InChIKeyXDPBCBAOBFEZHB-UHFFFAOYSA-N
XLogP2.29
TPSA143.21 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.51
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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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-(oxolan-3-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-(oxolan-3-yl)pyridin-2-one (CID 54674975) is 5-[5-amino-6-[5-[2-methoxy-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-[2-methoxy-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-[2-methoxy-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)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-(oxolan-3-yl)pyridin-2-one?
The InChIKey is XDPBCBAOBFEZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4/c1-26-10-14-3-5-17(19(9-14)33-2)23-29-30-24(35-23)21-22(25)27-11-18(28-21)15-4-6-20(32)31(12-15)16-7-8-34-13-16/h3-6,9,11-12,16,26H,7-8,10,13H2,1-2H3,(H2,25,27).
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-(oxolan-3-yl)pyridin-2-one?
5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one has a molecular weight of 475.51 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 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-(oxolan-3-yl)pyridin-2-one is sourced from PubChem (CID 54674975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).