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

C25H27N7O2 — CID 54675125

IUPAC5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C5CCCC5)c4)cnc3N)o2)c(C)c1
InChIInChI=1S/C25H27N7O2/c1-15-11-16(12-27-2)7-9-19(15)24-30-31-25(34-24)22-23(26)28-13-20(29-22)17-8-10-21(33)32(14-17)18-5-3-4-6-18/h7-11,13-14,18,27H,3-6,12H2,1-2H3,(H2,26,28)
InChIKeyGREUJZQTNBFAIU-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.75
Rot. Bonds6

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

5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one (PubChem CID 54675125) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 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-cyclopentylpyridin-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-cyclopentylpyridin-2-one
PubChem CID54675125
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C5CCCC5)c4)cnc3N)o2)c(C)c1
InChIInChI=1S/C25H27N7O2/c1-15-11-16(12-27-2)7-9-19(15)24-30-31-25(34-24)22-23(26)28-13-20(29-22)17-8-10-21(33)32(14-17)18-5-3-4-6-18/h7-11,13-14,18,27H,3-6,12H2,1-2H3,(H2,26,28)
InChIKeyGREUJZQTNBFAIU-UHFFFAOYSA-N
XLogP3.75
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.75
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-cyclopentylpyridin-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-cyclopentylpyridin-2-one (CID 54675125) is 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclopentylpyridin-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-cyclopentylpyridin-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-cyclopentylpyridin-2-one is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C5CCCC5)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-cyclopentylpyridin-2-one?
The InChIKey is GREUJZQTNBFAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-15-11-16(12-27-2)7-9-19(15)24-30-31-25(34-24)22-23(26)28-13-20(29-22)17-8-10-21(33)32(14-17)18-5-3-4-6-18/h7-11,13-14,18,27H,3-6,12H2,1-2H3,(H2,26,28).
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-cyclopentylpyridin-2-one?
5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one has a molecular weight of 457.54 g/mol, XLogP of 3.75, 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-cyclopentylpyridin-2-one is sourced from PubChem (CID 54675125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).