2-[4-[6-[5-[4-(2-aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen

C76H86FN23O3 — CID 157481803

IUPAC2-[4-[6-[5-[4-(2-aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen
SMILESCc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(N3CCNCC3)cc2)o1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(NCCN)cc2F)o1.N#CC1(c2cc(-c3cnc(N)c(-c4cc(-c5ccccc5)no4)n3)ccn2)CN2CCC1CC2.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H26N8O.C26H23N7O.C24H23FN8O.7H2/c1-17-23(31-21(15-30-17)19-8-9-29-22(14-19)26(2,3)16-27)25-33-32-24(35-25)18-4-6-20(7-5-18)34-12-10-28-11-13-34;27-15-26(16-33-10-7-19(26)8-11-33)23-12-18(6-9-29-23)21-14-30-25(28)24(31-21)22-13-20(32-34-22)17-4-2-1-3-5-17;1-14-21(31-19(12-30-14)15-6-8-29-20(10-15)24(2,3)13-27)23-33-32-22(34-23)17-5-4-16(11-18(17)25)28-9-7-26;;;;;;;/h4-9,14-15,28H,10-13H2,1-3H3;1-6,9,12-14,19H,7-8,10-11,16H2,(H2,28,30);4-6,8,10-12,28H,7,9,26H2,1-3H3;7*1H
InChIKeyBWFZVJNBUDBFHL-UHFFFAOYSA-N
MW1388.68 g/mol
LogP13.30
Rot. Bonds16

About 2-[4-[6-[5-[4-(2-aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen

2-[4-[6-[5-[4-(2-aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen (PubChem CID 157481803) has the molecular formula C76H86FN23O3 and a molecular weight of 1388.68 g/mol. Its IUPAC name is 2-[4-[6-[5-[4-(2-aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen.

Molecular Properties

Compound Name2-[4-[6-[5-[4-(2-aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen
PubChem CID157481803
Molecular FormulaC76H86FN23O3
Molecular Weight1388.68 g/mol
Exact Mass1387.73
IUPAC Name2-[4-[6-[5-[4-(2-aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen
SMILESCc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(N3CCNCC3)cc2)o1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(NCCN)cc2F)o1.N#CC1(c2cc(-c3cnc(N)c(-c4cc(-c5ccccc5)no4)n3)ccn2)CN2CCC1CC2.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H26N8O.C26H23N7O.C24H23FN8O.7H2/c1-17-23(31-21(15-30-17)19-8-9-29-22(14-19)26(2,3)16-27)25-33-32-24(35-25)18-4-6-20(7-5-18)34-12-10-28-11-13-34;27-15-26(16-33-10-7-19(26)8-11-33)23-12-18(6-9-29-23)21-14-30-25(28)24(31-21)22-13-20(32-34-22)17-4-2-1-3-5-17;1-14-21(31-19(12-30-14)15-6-8-29-20(10-15)24(2,3)13-27)23-33-32-22(34-23)17-5-4-16(11-18(17)25)28-9-7-26;;;;;;;/h4-9,14-15,28H,10-13H2,1-3H3;1-6,9,12-14,19H,7-8,10-11,16H2,(H2,28,30);4-6,8,10-12,28H,7,9,26H2,1-3H3;7*1H
InChIKeyBWFZVJNBUDBFHL-UHFFFAOYSA-N
XLogP13.30
TPSA373.83 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001388.68
LogP ≤ 513.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 2-[4-[6-[5-[4-(2-aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[5-[4-(2-aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen?
The IUPAC name of 2-[4-[6-[5-[4-(2-aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen (CID 157481803) is 2-[4-[6-[5-[4-(2-aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen.
What is the SMILES notation for 2-[4-[6-[5-[4-(2-aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen?
The canonical SMILES for 2-[4-[6-[5-[4-(2-aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen is Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(N3CCNCC3)cc2)o1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(NCCN)cc2F)o1.N#CC1(c2cc(-c3cnc(N)c(-c4cc(-c5ccccc5)no4)n3)ccn2)CN2CCC1CC2.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-[4-[6-[5-[4-(2-aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen?
The InChIKey is BWFZVJNBUDBFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O.C26H23N7O.C24H23FN8O.7H2/c1-17-23(31-21(15-30-17)19-8-9-29-22(14-19)26(2,3)16-27)25-33-32-24(35-25)18-4-6-20(7-5-18)34-12-10-28-11-13-34;27-15-26(16-33-10-7-19(26)8-11-33)23-12-18(6-9-29-23)21-14-30-25(28)24(31-21)22-13-20(32-34-22)17-4-2-1-3-5-17;1-14-21(31-19(12-30-14)15-6-8-29-20(10-15)24(2,3)13-27)23-33-32-22(34-23)17-5-4-16(11-18(17)25)28-9-7-26;;;;;;;/h4-9,14-15,28H,10-13H2,1-3H3;1-6,9,12-14,19H,7-8,10-11,16H2,(H2,28,30);4-6,8,10-12,28H,7,9,26H2,1-3H3;7*1H.
What are the key properties of 2-[4-[6-[5-[4-(2-aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen?
2-[4-[6-[5-[4-(2-aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen has a molecular weight of 1388.68 g/mol, XLogP of 13.30, 16 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[5-[4-(2-aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen is sourced from PubChem (CID 157481803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).