2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile

C23H22N8O2 — CID 129060605

IUPAC2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4)cnc3N)o2)c(C#N)c1
InChIInChI=1S/C23H22N8O2/c1-13(2)31-12-15(5-7-19(31)32)18-11-27-21(25)20(28-18)23-30-29-22(33-23)17-6-4-14(10-26-3)8-16(17)9-24/h4-8,11-13,26H,10H2,1-3H3,(H2,25,27)
InChIKeyJQZWSPFAAWYQHQ-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.78
Rot. Bonds6

About 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile

2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile (PubChem CID 129060605) has the molecular formula C23H22N8O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile.

Molecular Properties

Compound Name2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile
PubChem CID129060605
Molecular FormulaC23H22N8O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC Name2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4)cnc3N)o2)c(C#N)c1
InChIInChI=1S/C23H22N8O2/c1-13(2)31-12-15(5-7-19(31)32)18-11-27-21(25)20(28-18)23-30-29-22(33-23)17-6-4-14(10-26-3)8-16(17)9-24/h4-8,11-13,26H,10H2,1-3H3,(H2,25,27)
InChIKeyJQZWSPFAAWYQHQ-UHFFFAOYSA-N
XLogP2.78
TPSA148.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile
CID 129060612
3-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile
CID 54673242
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
5-[5-amino-6-[5-[3-(2-bromoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 174698912
5-[5-amino-6-[3-[3-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 54672911
5-[4-[dihydroxy(propan-2-yl)-λ4-sulfanyl]phenyl]-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen
CID 157359476
5-(3-chloro-4-propan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59472380
4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59471640
2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol
CID 135270415
5-[6-[5-[3-[(tert-butylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen
CID 158392426
5-[4-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-3-ethylphenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59472407
5-[4-(4-methoxybutan-2-ylsulfinyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 135137180

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile?
The IUPAC name of 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile (CID 129060605) is 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile.
What is the SMILES notation for 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile?
The canonical SMILES for 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4)cnc3N)o2)c(C#N)c1.
What is the InChIKey of 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile?
The InChIKey is JQZWSPFAAWYQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2/c1-13(2)31-12-15(5-7-19(31)32)18-11-27-21(25)20(28-18)23-30-29-22(33-23)17-6-4-14(10-26-3)8-16(17)9-24/h4-8,11-13,26H,10H2,1-3H3,(H2,25,27).
What are the key properties of 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile?
2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile has a molecular weight of 442.48 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile is sourced from PubChem (CID 129060605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).