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

C22H23N7O3 — CID 54674822

IUPAC5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CCOC)c4)cnc3N)o2)cc1
InChIInChI=1S/C22H23N7O3/c1-24-11-14-3-5-15(6-4-14)21-27-28-22(32-21)19-20(23)25-12-17(26-19)16-7-8-18(30)29(13-16)9-10-31-2/h3-8,12-13,24H,9-11H2,1-2H3,(H2,23,25)
InChIKeyXYDLONXXJBCQRQ-UHFFFAOYSA-N
MW433.47 g/mol
LogP1.97
Rot. Bonds8

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

5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 54674822) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2-methoxyethyl)pyridin-2-one
PubChem CID54674822
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CCOC)c4)cnc3N)o2)cc1
InChIInChI=1S/C22H23N7O3/c1-24-11-14-3-5-15(6-4-14)21-27-28-22(32-21)19-20(23)25-12-17(26-19)16-7-8-18(30)29(13-16)9-10-31-2/h3-8,12-13,24H,9-11H2,1-2H3,(H2,23,25)
InChIKeyXYDLONXXJBCQRQ-UHFFFAOYSA-N
XLogP1.97
TPSA133.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.97
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-(2-methoxyethyl)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-(2-methoxyethyl)pyridin-2-one (CID 54674822) is 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2-methoxyethyl)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-(2-methoxyethyl)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-(2-methoxyethyl)pyridin-2-one is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CCOC)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-(2-methoxyethyl)pyridin-2-one?
The InChIKey is XYDLONXXJBCQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-24-11-14-3-5-15(6-4-14)21-27-28-22(32-21)19-20(23)25-12-17(26-19)16-7-8-18(30)29(13-16)9-10-31-2/h3-8,12-13,24H,9-11H2,1-2H3,(H2,23,25).
What are the key properties of 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2-methoxyethyl)pyridin-2-one?
5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 433.47 g/mol, XLogP of 1.97, 8 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-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 54674822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).