2-[4-[5-amino-6-[5-[4-[2-(dimethylamino)ethylamino]-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile

C25H26FN9O — CID 66563265

IUPAC2-[4-[5-amino-6-[5-[4-[2-(dimethylamino)ethylamino]-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile
SMILESCN(C)CCNc1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)o2)c(F)c1
InChIInChI=1S/C25H26FN9O/c1-25(2,14-27)20-11-15(7-8-30-20)19-13-31-22(28)21(32-19)24-34-33-23(36-24)17-6-5-16(12-18(17)26)29-9-10-35(3)4/h5-8,11-13,29H,9-10H2,1-4H3,(H2,28,31)
InChIKeyDJTLRCUOSLZAJE-UHFFFAOYSA-N
MW487.54 g/mol
LogP3.75
Rot. Bonds8

About 2-[4-[5-amino-6-[5-[4-[2-(dimethylamino)ethylamino]-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile

2-[4-[5-amino-6-[5-[4-[2-(dimethylamino)ethylamino]-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile (PubChem CID 66563265) has the molecular formula C25H26FN9O and a molecular weight of 487.54 g/mol. Its IUPAC name is 2-[4-[5-amino-6-[5-[4-[2-(dimethylamino)ethylamino]-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[5-amino-6-[5-[4-[2-(dimethylamino)ethylamino]-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile
PubChem CID66563265
Molecular FormulaC25H26FN9O
Molecular Weight487.54 g/mol
Exact Mass487.22
IUPAC Name2-[4-[5-amino-6-[5-[4-[2-(dimethylamino)ethylamino]-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile
SMILESCN(C)CCNc1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)o2)c(F)c1
InChIInChI=1S/C25H26FN9O/c1-25(2,14-27)20-11-15(7-8-30-20)19-13-31-22(28)21(32-19)24-34-33-23(36-24)17-6-5-16(12-18(17)26)29-9-10-35(3)4/h5-8,11-13,29H,9-10H2,1-4H3,(H2,28,31)
InChIKeyDJTLRCUOSLZAJE-UHFFFAOYSA-N
XLogP3.75
TPSA142.67 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-[5-[4-[2-(dimethylamino)ethylamino]-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[5-amino-6-[5-[4-[2-(dimethylamino)ethylamino]-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile (CID 66563265) is 2-[4-[5-amino-6-[5-[4-[2-(dimethylamino)ethylamino]-2-fluorophenyl]-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-[2-(dimethylamino)ethylamino]-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[5-amino-6-[5-[4-[2-(dimethylamino)ethylamino]-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile is CN(C)CCNc1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)o2)c(F)c1.
What is the InChIKey of 2-[4-[5-amino-6-[5-[4-[2-(dimethylamino)ethylamino]-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
The InChIKey is DJTLRCUOSLZAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN9O/c1-25(2,14-27)20-11-15(7-8-30-20)19-13-31-22(28)21(32-19)24-34-33-23(36-24)17-6-5-16(12-18(17)26)29-9-10-35(3)4/h5-8,11-13,29H,9-10H2,1-4H3,(H2,28,31).
What are the key properties of 2-[4-[5-amino-6-[5-[4-[2-(dimethylamino)ethylamino]-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
2-[4-[5-amino-6-[5-[4-[2-(dimethylamino)ethylamino]-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile has a molecular weight of 487.54 g/mol, XLogP of 3.75, 8 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-[2-(dimethylamino)ethylamino]-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile is sourced from PubChem (CID 66563265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).