2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile

C24H23FN8O — CID 157169470

IUPAC2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile
SMILESCc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(F)cc2NCCN)o1
InChIInChI=1S/C24H23FN8O/c1-14-21(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(25)11-18(17)28-9-7-26/h4-6,8,10-12,28H,7,9,26H2,1-3H3
InChIKeyOXVNENXKBKBWCJ-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.87
Rot. Bonds7

About 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile

2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile (PubChem CID 157169470) has the molecular formula C24H23FN8O and a molecular weight of 458.50 g/mol. Its IUPAC name is 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile
PubChem CID157169470
Molecular FormulaC24H23FN8O
Molecular Weight458.50 g/mol
Exact Mass458.20
IUPAC Name2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile
SMILESCc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(F)cc2NCCN)o1
InChIInChI=1S/C24H23FN8O/c1-14-21(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(25)11-18(17)28-9-7-26/h4-6,8,10-12,28H,7,9,26H2,1-3H3
InChIKeyOXVNENXKBKBWCJ-UHFFFAOYSA-N
XLogP3.87
TPSA139.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile (CID 157169470) is 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile is Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(F)cc2NCCN)o1.
What is the InChIKey of 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
The InChIKey is OXVNENXKBKBWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8O/c1-14-21(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(25)11-18(17)28-9-7-26/h4-6,8,10-12,28H,7,9,26H2,1-3H3.
What are the key properties of 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile has a molecular weight of 458.50 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile is sourced from PubChem (CID 157169470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).