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

C24H27N7O2 — CID 54673243

IUPAC5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-methyl-1-propan-2-ylpyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4C)cnc3N)o2)c(C)c1
InChIInChI=1S/C24H27N7O2/c1-13(2)31-15(4)18(8-9-20(31)32)19-12-27-22(25)21(28-19)24-30-29-23(33-24)17-7-6-16(11-26-5)10-14(17)3/h6-10,12-13,26H,11H2,1-5H3,(H2,25,27)
InChIKeyIFBFNJFUKYHDCM-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.52
Rot. Bonds6

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

5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-methyl-1-propan-2-ylpyridin-2-one (PubChem CID 54673243) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 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]-6-methyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-methyl-1-propan-2-ylpyridin-2-one
PubChem CID54673243
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-methyl-1-propan-2-ylpyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4C)cnc3N)o2)c(C)c1
InChIInChI=1S/C24H27N7O2/c1-13(2)31-15(4)18(8-9-20(31)32)19-12-27-22(25)21(28-19)24-30-29-23(33-24)17-7-6-16(11-26-5)10-14(17)3/h6-10,12-13,26H,11H2,1-5H3,(H2,25,27)
InChIKeyIFBFNJFUKYHDCM-UHFFFAOYSA-N
XLogP3.52
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-methyl-1-propan-2-ylpyridin-2-one with MolForge

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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]-6-methyl-1-propan-2-ylpyridin-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]-6-methyl-1-propan-2-ylpyridin-2-one (CID 54673243) is 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-methyl-1-propan-2-ylpyridin-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]-6-methyl-1-propan-2-ylpyridin-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]-6-methyl-1-propan-2-ylpyridin-2-one is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4C)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]-6-methyl-1-propan-2-ylpyridin-2-one?
The InChIKey is IFBFNJFUKYHDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-13(2)31-15(4)18(8-9-20(31)32)19-12-27-22(25)21(28-19)24-30-29-23(33-24)17-7-6-16(11-26-5)10-14(17)3/h6-10,12-13,26H,11H2,1-5H3,(H2,25,27).
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]-6-methyl-1-propan-2-ylpyridin-2-one?
5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-methyl-1-propan-2-ylpyridin-2-one has a molecular weight of 445.53 g/mol, XLogP of 3.52, 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]-6-methyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 54673243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).