2-[4-[5-amino-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile

C25H25N9O — CID 66562857

IUPAC2-[4-[5-amino-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(N5CCNCC5)cc4)o3)n2)ccn1
InChIInChI=1S/C25H25N9O/c1-25(2,15-26)20-13-17(7-8-29-20)19-14-30-22(27)21(31-19)24-33-32-23(35-24)16-3-5-18(6-4-16)34-11-9-28-10-12-34/h3-8,13-14,28H,9-12H2,1-2H3,(H2,27,30)
InChIKeyQADBBDNSKYGXCP-UHFFFAOYSA-N
MW467.54 g/mol
LogP3.05
Rot. Bonds5

About 2-[4-[5-amino-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile

2-[4-[5-amino-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile (PubChem CID 66562857) has the molecular formula C25H25N9O and a molecular weight of 467.54 g/mol. Its IUPAC name is 2-[4-[5-amino-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[5-amino-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile
PubChem CID66562857
Molecular FormulaC25H25N9O
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC Name2-[4-[5-amino-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(N5CCNCC5)cc4)o3)n2)ccn1
InChIInChI=1S/C25H25N9O/c1-25(2,15-26)20-13-17(7-8-29-20)19-14-30-22(27)21(31-19)24-33-32-23(35-24)16-3-5-18(6-4-16)34-11-9-28-10-12-34/h3-8,13-14,28H,9-12H2,1-2H3,(H2,27,30)
InChIKeyQADBBDNSKYGXCP-UHFFFAOYSA-N
XLogP3.05
TPSA142.67 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[5-amino-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile with MolForge

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Related Compounds

[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 59471699
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone
CID 59471711
4-[5-amino-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59471830
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 59471920
4-(5-Amino-6-(5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-n,n-dimethylbenzamide
CID 59472089
4-[5-amino-6-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59472187
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone
CID 59472331
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
3-[5-Amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile
CID 54673244
5-[5-Amino-6-[5-[3-(methylamino-methyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-isopropyl-pyridin-2-one
CID 54674819
5-[5-Amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-methylpyridin-2-one
CID 54674821
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[5-amino-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile (CID 66562857) is 2-[4-[5-amino-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[5-amino-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[5-amino-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile is CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(N5CCNCC5)cc4)o3)n2)ccn1.
What is the InChIKey of 2-[4-[5-amino-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
The InChIKey is QADBBDNSKYGXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O/c1-25(2,15-26)20-13-17(7-8-29-20)19-14-30-22(27)21(31-19)24-33-32-23(35-24)16-3-5-18(6-4-16)34-11-9-28-10-12-34/h3-8,13-14,28H,9-12H2,1-2H3,(H2,27,30).
What are the key properties of 2-[4-[5-amino-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
2-[4-[5-amino-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile has a molecular weight of 467.54 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile is sourced from PubChem (CID 66562857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).