[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone

C26H25F2N7O2 — CID 59471920

IUPAC[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2c(F)cc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2F)CC1
InChIInChI=1S/C26H25F2N7O2/c1-34(2)17-8-10-35(11-9-17)26(36)21-18(27)12-16(13-19(21)28)20-14-30-23(29)22(31-20)25-33-32-24(37-25)15-6-4-3-5-7-15/h3-7,12-14,17H,8-11H2,1-2H3,(H2,29,30)
InChIKeyLTJOUQUBSVBUBT-UHFFFAOYSA-N
MW505.53 g/mol
LogP3.89
Rot. Bonds5

About [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 59471920) has the molecular formula C26H25F2N7O2 and a molecular weight of 505.53 g/mol. Its IUPAC name is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID59471920
Molecular FormulaC26H25F2N7O2
Molecular Weight505.53 g/mol
Exact Mass505.20
IUPAC Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2c(F)cc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2F)CC1
InChIInChI=1S/C26H25F2N7O2/c1-34(2)17-8-10-35(11-9-17)26(36)21-18(27)12-16(13-19(21)28)20-14-30-23(29)22(31-20)25-33-32-24(37-25)15-6-4-3-5-7-15/h3-7,12-14,17H,8-11H2,1-2H3,(H2,29,30)
InChIKeyLTJOUQUBSVBUBT-UHFFFAOYSA-N
XLogP3.89
TPSA114.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of [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) is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2c(F)cc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2F)CC1.
What is the InChIKey of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is LTJOUQUBSVBUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N7O2/c1-34(2)17-8-10-35(11-9-17)26(36)21-18(27)12-16(13-19(21)28)20-14-30-23(29)22(31-20)25-33-32-24(37-25)15-6-4-3-5-7-15/h3-7,12-14,17H,8-11H2,1-2H3,(H2,29,30).
What are the key properties of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 505.53 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 59471920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).