2-[4-[5-amino-6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile

C24H25N9O — CID 66562856

IUPAC2-[4-[5-amino-6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile
SMILESCN(CCN)c1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)o2)cc1
InChIInChI=1S/C24H25N9O/c1-24(2,14-26)19-12-16(8-10-28-19)18-13-29-21(27)20(30-18)23-32-31-22(34-23)15-4-6-17(7-5-15)33(3)11-9-25/h4-8,10,12-13H,9,11,25H2,1-3H3,(H2,27,29)
InChIKeyYQABZXGIFMMDRA-UHFFFAOYSA-N
MW455.53 g/mol
LogP3.03
Rot. Bonds7

About 2-[4-[5-amino-6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile

2-[4-[5-amino-6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile (PubChem CID 66562856) has the molecular formula C24H25N9O and a molecular weight of 455.53 g/mol. Its IUPAC name is 2-[4-[5-amino-6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[5-amino-6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile
PubChem CID66562856
Molecular FormulaC24H25N9O
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC Name2-[4-[5-amino-6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile
SMILESCN(CCN)c1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)o2)cc1
InChIInChI=1S/C24H25N9O/c1-24(2,14-26)19-12-16(8-10-28-19)18-13-29-21(27)20(30-18)23-32-31-22(34-23)15-4-6-17(7-5-15)33(3)11-9-25/h4-8,10,12-13H,9,11,25H2,1-3H3,(H2,27,29)
InChIKeyYQABZXGIFMMDRA-UHFFFAOYSA-N
XLogP3.03
TPSA156.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-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-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile (CID 66562856) is 2-[4-[5-amino-6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-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-aminoethyl(methyl)amino]phenyl]-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-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile is CN(CCN)c1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)o2)cc1.
What is the InChIKey of 2-[4-[5-amino-6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
The InChIKey is YQABZXGIFMMDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O/c1-24(2,14-26)19-12-16(8-10-28-19)18-13-29-21(27)20(30-18)23-32-31-22(34-23)15-4-6-17(7-5-15)33(3)11-9-25/h4-8,10,12-13H,9,11,25H2,1-3H3,(H2,27,29).
What are the key properties of 2-[4-[5-amino-6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
2-[4-[5-amino-6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile has a molecular weight of 455.53 g/mol, XLogP of 3.03, 7 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-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile is sourced from PubChem (CID 66562856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).