5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;1-cyclobutyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen

C76H87N19O8 — CID 159486873

IUPAC5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;1-cyclobutyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C#N)c4)cnc3C)o2)c(OC)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C5CCC5)c4)cnc3C)o2)c(C)c1.COc1cc(CNC(C)(C)C)ccc1-c1nnc(-c2nc(-c3ccc(=O)n(C(C)C)c3)cnc2C)o1.[H][H].[H][H].[H][H]
InChIInChI=1S/C27H32N6O3.C25H26N6O2.C24H23N7O3.3H2/c1-16(2)33-15-19(9-11-23(33)34)21-14-28-17(3)24(30-21)26-32-31-25(36-26)20-10-8-18(12-22(20)35-7)13-29-27(4,5)6;1-15-11-17(12-26-3)7-9-20(15)24-29-30-25(33-24)23-16(2)27-13-21(28-23)18-8-10-22(32)31(14-18)19-5-4-6-19;1-14(10-25)31-13-17(6-8-21(31)32)19-12-27-15(2)22(28-19)24-30-29-23(34-24)18-7-5-16(11-26-3)9-20(18)33-4;;;/h8-12,14-16,29H,13H2,1-7H3;7-11,13-14,19,26H,4-6,12H2,1-3H3;5-9,12-14,26H,11H2,1-4H3;3*1H
InChIKeyLXRPZNSUZKPDOE-UHFFFAOYSA-N
MW1394.66 g/mol
LogP12.77
Rot. Bonds20

About 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;1-cyclobutyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen

5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;1-cyclobutyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen (PubChem CID 159486873) has the molecular formula C76H87N19O8 and a molecular weight of 1394.66 g/mol. Its IUPAC name is 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;1-cyclobutyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen.

Molecular Properties

Compound Name5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;1-cyclobutyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen
PubChem CID159486873
Molecular FormulaC76H87N19O8
Molecular Weight1394.66 g/mol
Exact Mass1393.70
IUPAC Name5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;1-cyclobutyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C#N)c4)cnc3C)o2)c(OC)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C5CCC5)c4)cnc3C)o2)c(C)c1.COc1cc(CNC(C)(C)C)ccc1-c1nnc(-c2nc(-c3ccc(=O)n(C(C)C)c3)cnc2C)o1.[H][H].[H][H].[H][H]
InChIInChI=1S/C27H32N6O3.C25H26N6O2.C24H23N7O3.3H2/c1-16(2)33-15-19(9-11-23(33)34)21-14-28-17(3)24(30-21)26-32-31-25(36-26)20-10-8-18(12-22(20)35-7)13-29-27(4,5)6;1-15-11-17(12-26-3)7-9-20(15)24-29-30-25(33-24)23-16(2)27-13-21(28-23)18-8-10-22(32)31(14-18)19-5-4-6-19;1-14(10-25)31-13-17(6-8-21(31)32)19-12-27-15(2)22(28-19)24-30-29-23(34-24)18-7-5-16(11-26-3)9-20(18)33-4;;;/h8-12,14-16,29H,13H2,1-7H3;7-11,13-14,19,26H,4-6,12H2,1-3H3;5-9,12-14,26H,11H2,1-4H3;3*1H
InChIKeyLXRPZNSUZKPDOE-UHFFFAOYSA-N
XLogP12.77
TPSA338.44 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001394.66
LogP ≤ 512.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;1-cyclobutyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;1-cyclobutyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen?
The IUPAC name of 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;1-cyclobutyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen (CID 159486873) is 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;1-cyclobutyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen.
What is the SMILES notation for 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;1-cyclobutyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen?
The canonical SMILES for 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;1-cyclobutyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C#N)c4)cnc3C)o2)c(OC)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C5CCC5)c4)cnc3C)o2)c(C)c1.COc1cc(CNC(C)(C)C)ccc1-c1nnc(-c2nc(-c3ccc(=O)n(C(C)C)c3)cnc2C)o1.[H][H].[H][H].[H][H].
What is the InChIKey of 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;1-cyclobutyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen?
The InChIKey is LXRPZNSUZKPDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3.C25H26N6O2.C24H23N7O3.3H2/c1-16(2)33-15-19(9-11-23(33)34)21-14-28-17(3)24(30-21)26-32-31-25(36-26)20-10-8-18(12-22(20)35-7)13-29-27(4,5)6;1-15-11-17(12-26-3)7-9-20(15)24-29-30-25(33-24)23-16(2)27-13-21(28-23)18-8-10-22(32)31(14-18)19-5-4-6-19;1-14(10-25)31-13-17(6-8-21(31)32)19-12-27-15(2)22(28-19)24-30-29-23(34-24)18-7-5-16(11-26-3)9-20(18)33-4;;;/h8-12,14-16,29H,13H2,1-7H3;7-11,13-14,19,26H,4-6,12H2,1-3H3;5-9,12-14,26H,11H2,1-4H3;3*1H.
What are the key properties of 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;1-cyclobutyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen?
5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;1-cyclobutyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen has a molecular weight of 1394.66 g/mol, XLogP of 12.77, 20 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[5-[4-[(tert-butylamino)methyl]-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;1-cyclobutyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen is sourced from PubChem (CID 159486873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).