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

C26H28N6O2 — CID 58070308

IUPAC1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C5CC5)c4)cnc3C)o2)c(C)c1
InChIInChI=1S/C26H28N6O2/c1-15-11-18(12-27-4)5-9-21(15)25-30-31-26(34-25)24-16(2)28-13-22(29-24)20-8-10-23(33)32(14-20)17(3)19-6-7-19/h5,8-11,13-14,17,19,27H,6-7,12H2,1-4H3
InChIKeyJWYALEOSRJEIDL-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.33
Rot. Bonds7

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

1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one (PubChem CID 58070308) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one
PubChem CID58070308
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C5CC5)c4)cnc3C)o2)c(C)c1
InChIInChI=1S/C26H28N6O2/c1-15-11-18(12-27-4)5-9-21(15)25-30-31-26(34-25)24-16(2)28-13-22(29-24)20-8-10-23(33)32(14-20)17(3)19-6-7-19/h5,8-11,13-14,17,19,27H,6-7,12H2,1-4H3
InChIKeyJWYALEOSRJEIDL-UHFFFAOYSA-N
XLogP4.33
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one?
The IUPAC name of 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one (CID 58070308) is 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one.
What is the SMILES notation for 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one?
The canonical SMILES for 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C5CC5)c4)cnc3C)o2)c(C)c1.
What is the InChIKey of 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one?
The InChIKey is JWYALEOSRJEIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-15-11-18(12-27-4)5-9-21(15)25-30-31-26(34-25)24-16(2)28-13-22(29-24)20-8-10-23(33)32(14-20)17(3)19-6-7-19/h5,8-11,13-14,17,19,27H,6-7,12H2,1-4H3.
What are the key properties of 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one?
1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one has a molecular weight of 456.55 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one is sourced from PubChem (CID 58070308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).