2-[4-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen

C78H89N25O3 — CID 158154579

IUPAC2-[4-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen
SMILESCC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4cccc(N5CC[C@@H](N)C5)c4)o3)n2)ccn1.CNCCN(C)c1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3C)o2)cc1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(N3CCC(N)CC3)cc2)o1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H28N8O.C26H28N8O.C25H25N9O.4H2/c1-17-24(32-22(15-31-17)19-8-11-30-23(14-19)27(2,3)16-28)26-34-33-25(36-26)18-4-6-21(7-5-18)35-12-9-20(29)10-13-35;1-17-23(31-21(15-30-17)19-10-11-29-22(14-19)26(2,3)16-27)25-33-32-24(35-25)18-6-8-20(9-7-18)34(5)13-12-28-4;1-25(2,14-26)20-11-15(6-8-29-20)19-12-30-22(28)21(31-19)24-33-32-23(35-24)16-4-3-5-18(10-16)34-9-7-17(27)13-34;;;;/h4-8,11,14-15,20H,9-10,12-13,29H2,1-3H3;6-11,14-15,28H,12-13H2,1-5H3;3-6,8,10-12,17H,7,9,13,27H2,1-2H3,(H2,28,30);4*1H/t;;17-;;;;/m..1..../s1
InChIKeyFVNHJLRTVRKOMJ-IPRWDPEXSA-N
MW1424.74 g/mol
LogP12.47
Rot. Bonds18

About 2-[4-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen

2-[4-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen (PubChem CID 158154579) has the molecular formula C78H89N25O3 and a molecular weight of 1424.74 g/mol. Its IUPAC name is 2-[4-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen.

Molecular Properties

Compound Name2-[4-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen
PubChem CID158154579
Molecular FormulaC78H89N25O3
Molecular Weight1424.74 g/mol
Exact Mass1423.76
IUPAC Name2-[4-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen
SMILESCC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4cccc(N5CC[C@@H](N)C5)c4)o3)n2)ccn1.CNCCN(C)c1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3C)o2)cc1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(N3CCC(N)CC3)cc2)o1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H28N8O.C26H28N8O.C25H25N9O.4H2/c1-17-24(32-22(15-31-17)19-8-11-30-23(14-19)27(2,3)16-28)26-34-33-25(36-26)18-4-6-21(7-5-18)35-12-9-20(29)10-13-35;1-17-23(31-21(15-30-17)19-10-11-29-22(14-19)26(2,3)16-27)25-33-32-24(35-25)18-6-8-20(9-7-18)34(5)13-12-28-4;1-25(2,14-26)20-11-15(6-8-29-20)19-12-30-22(28)21(31-19)24-33-32-23(35-24)16-4-3-5-18(10-16)34-9-7-17(27)13-34;;;;/h4-8,11,14-15,20H,9-10,12-13,29H2,1-3H3;6-11,14-15,28H,12-13H2,1-5H3;3-6,8,10-12,17H,7,9,13,27H2,1-2H3,(H2,28,30);4*1H/t;;17-;;;;/m..1..../s1
InChIKeyFVNHJLRTVRKOMJ-IPRWDPEXSA-N
XLogP12.47
TPSA403.95 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001424.74
LogP ≤ 512.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 2-[4-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-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-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen?
The IUPAC name of 2-[4-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen (CID 158154579) is 2-[4-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen.
What is the SMILES notation for 2-[4-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen?
The canonical SMILES for 2-[4-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen is CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4cccc(N5CC[C@@H](N)C5)c4)o3)n2)ccn1.CNCCN(C)c1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3C)o2)cc1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(N3CCC(N)CC3)cc2)o1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-[4-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen?
The InChIKey is FVNHJLRTVRKOMJ-IPRWDPEXSA-N. The full InChI is InChI=1S/C27H28N8O.C26H28N8O.C25H25N9O.4H2/c1-17-24(32-22(15-31-17)19-8-11-30-23(14-19)27(2,3)16-28)26-34-33-25(36-26)18-4-6-21(7-5-18)35-12-9-20(29)10-13-35;1-17-23(31-21(15-30-17)19-10-11-29-22(14-19)26(2,3)16-27)25-33-32-24(35-25)18-6-8-20(9-7-18)34(5)13-12-28-4;1-25(2,14-26)20-11-15(6-8-29-20)19-12-30-22(28)21(31-19)24-33-32-23(35-24)16-4-3-5-18(10-16)34-9-7-17(27)13-34;;;;/h4-8,11,14-15,20H,9-10,12-13,29H2,1-3H3;6-11,14-15,28H,12-13H2,1-5H3;3-6,8,10-12,17H,7,9,13,27H2,1-2H3,(H2,28,30);4*1H/t;;17-;;;;/m..1..../s1.
What are the key properties of 2-[4-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen?
2-[4-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen has a molecular weight of 1424.74 g/mol, XLogP of 12.47, 18 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen is sourced from PubChem (CID 158154579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).