2-[4-[5-amino-6-[5-[4-[(3R)-3-aminopiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(2-aminoethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-morpholin-3-ylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen

C76H80N24O4 — CID 161292342

IUPAC2-[4-[5-amino-6-[5-[4-[(3R)-3-aminopiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(2-aminoethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-morpholin-3-ylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen
SMILESCC(C)(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccc(C5COCCN5)cc4)no3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(N5CCC[C@@H](N)C5)cc4)o3)n2)ccn1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(NCCN)cc2)o1.[H][H].[H][H]
InChIInChI=1S/C26H27N9O.C26H25N7O2.C24H24N8O.2H2/c1-26(2,15-27)21-12-17(9-10-30-21)20-13-31-23(29)22(32-20)25-34-33-24(36-25)16-5-7-19(8-6-16)35-11-3-4-18(28)14-35;1-26(2,15-27)23-11-18(7-8-30-23)20-13-31-25(28)24(32-20)22-12-19(33-35-22)16-3-5-17(6-4-16)21-14-34-10-9-29-21;1-15-21(23-32-31-22(33-23)16-4-6-18(7-5-16)27-11-9-25)30-19(13-29-15)17-8-10-28-20(12-17)24(2,3)14-26;;/h5-10,12-13,18H,3-4,11,14,28H2,1-2H3,(H2,29,31);3-8,11-13,21,29H,9-10,14H2,1-2H3,(H2,28,31);4-8,10,12-13,27H,9,11,25H2,1-3H3;2*1H/t18-;;;;/m1..../s1
InChIKeyVGNCXSJCGOVOJW-HHVPYRKWSA-N
MW1393.64 g/mol
LogP11.70
Rot. Bonds17

About 2-[4-[5-amino-6-[5-[4-[(3R)-3-aminopiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(2-aminoethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-morpholin-3-ylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen

2-[4-[5-amino-6-[5-[4-[(3R)-3-aminopiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(2-aminoethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-morpholin-3-ylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen (PubChem CID 161292342) has the molecular formula C76H80N24O4 and a molecular weight of 1393.64 g/mol. Its IUPAC name is 2-[4-[5-amino-6-[5-[4-[(3R)-3-aminopiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(2-aminoethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-morpholin-3-ylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen.

Molecular Properties

Compound Name2-[4-[5-amino-6-[5-[4-[(3R)-3-aminopiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(2-aminoethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-morpholin-3-ylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen
PubChem CID161292342
Molecular FormulaC76H80N24O4
Molecular Weight1393.64 g/mol
Exact Mass1392.68
IUPAC Name2-[4-[5-amino-6-[5-[4-[(3R)-3-aminopiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(2-aminoethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-morpholin-3-ylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen
SMILESCC(C)(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccc(C5COCCN5)cc4)no3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(N5CCC[C@@H](N)C5)cc4)o3)n2)ccn1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(NCCN)cc2)o1.[H][H].[H][H]
InChIInChI=1S/C26H27N9O.C26H25N7O2.C24H24N8O.2H2/c1-26(2,15-27)21-12-17(9-10-30-21)20-13-31-23(29)22(32-20)25-34-33-24(36-25)16-5-7-19(8-6-16)35-11-3-4-18(28)14-35;1-26(2,15-27)23-11-18(7-8-30-23)20-13-31-25(28)24(32-20)22-12-19(33-35-22)16-3-5-17(6-4-16)21-14-34-10-9-29-21;1-15-21(23-32-31-22(33-23)16-4-6-18(7-5-16)27-11-9-25)30-19(13-29-15)17-8-10-28-20(12-17)24(2,3)14-26;;/h5-10,12-13,18H,3-4,11,14,28H2,1-2H3,(H2,29,31);3-8,11-13,21,29H,9-10,14H2,1-2H3,(H2,28,31);4-8,10,12-13,27H,9,11,25H2,1-3H3;2*1H/t18-;;;;/m1..../s1
InChIKeyVGNCXSJCGOVOJW-HHVPYRKWSA-N
XLogP11.70
TPSA431.86 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds17
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001393.64
LogP ≤ 511.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 2-[4-[5-amino-6-[5-[4-[(3R)-3-aminopiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(2-aminoethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-morpholin-3-ylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-[5-[4-[(3R)-3-aminopiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(2-aminoethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-morpholin-3-ylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen?
The IUPAC name of 2-[4-[5-amino-6-[5-[4-[(3R)-3-aminopiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(2-aminoethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-morpholin-3-ylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen (CID 161292342) is 2-[4-[5-amino-6-[5-[4-[(3R)-3-aminopiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(2-aminoethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-morpholin-3-ylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen.
What is the SMILES notation for 2-[4-[5-amino-6-[5-[4-[(3R)-3-aminopiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(2-aminoethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-morpholin-3-ylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen?
The canonical SMILES for 2-[4-[5-amino-6-[5-[4-[(3R)-3-aminopiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(2-aminoethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-morpholin-3-ylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen is CC(C)(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccc(C5COCCN5)cc4)no3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(N5CCC[C@@H](N)C5)cc4)o3)n2)ccn1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(NCCN)cc2)o1.[H][H].[H][H].
What is the InChIKey of 2-[4-[5-amino-6-[5-[4-[(3R)-3-aminopiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(2-aminoethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-morpholin-3-ylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen?
The InChIKey is VGNCXSJCGOVOJW-HHVPYRKWSA-N. The full InChI is InChI=1S/C26H27N9O.C26H25N7O2.C24H24N8O.2H2/c1-26(2,15-27)21-12-17(9-10-30-21)20-13-31-23(29)22(32-20)25-34-33-24(36-25)16-5-7-19(8-6-16)35-11-3-4-18(28)14-35;1-26(2,15-27)23-11-18(7-8-30-23)20-13-31-25(28)24(32-20)22-12-19(33-35-22)16-3-5-17(6-4-16)21-14-34-10-9-29-21;1-15-21(23-32-31-22(33-23)16-4-6-18(7-5-16)27-11-9-25)30-19(13-29-15)17-8-10-28-20(12-17)24(2,3)14-26;;/h5-10,12-13,18H,3-4,11,14,28H2,1-2H3,(H2,29,31);3-8,11-13,21,29H,9-10,14H2,1-2H3,(H2,28,31);4-8,10,12-13,27H,9,11,25H2,1-3H3;2*1H/t18-;;;;/m1..../s1.
What are the key properties of 2-[4-[5-amino-6-[5-[4-[(3R)-3-aminopiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(2-aminoethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-morpholin-3-ylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen?
2-[4-[5-amino-6-[5-[4-[(3R)-3-aminopiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(2-aminoethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-morpholin-3-ylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen has a molecular weight of 1393.64 g/mol, XLogP of 11.70, 17 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-6-[5-[4-[(3R)-3-aminopiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(2-aminoethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-morpholin-3-ylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen is sourced from PubChem (CID 161292342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).