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

C75H87F3N20O7 — CID 159590429

IUPACazane;5-[6-[5-[4-[(tert-butylamino)methyl]-2-methylphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;5-(methylaminomethyl)-2-[5-[3-methyl-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]benzonitrile;molecular hydrogen
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C(F)(F)F)c4)cnc3C)o2)c(OC)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4)cnc3C)o2)c(C#N)c1.Cc1cc(CNC(C)(C)C)ccc1-c1nnc(-c2nc(-c3ccc(=O)n(C(C)C)c3)cnc2C)o1.N.[H][H].[H][H].[H][H]
InChIInChI=1S/C27H32N6O2.C24H23F3N6O3.C24H23N7O2.H3N.3H2/c1-16(2)33-15-20(9-11-23(33)34)22-14-28-18(4)24(30-22)26-32-31-25(35-26)21-10-8-19(12-17(21)3)13-29-27(5,6)7;1-13-21(23-32-31-22(36-23)17-7-5-15(10-28-3)9-19(17)35-4)30-18(11-29-13)16-6-8-20(34)33(12-16)14(2)24(25,26)27;1-14(2)31-13-17(6-8-21(31)32)20-12-27-15(3)22(28-20)24-30-29-23(33-24)19-7-5-16(11-26-4)9-18(19)10-25;;;;/h8-12,14-16,29H,13H2,1-7H3;5-9,11-12,14,28H,10H2,1-4H3;5-9,12-14,26H,11H2,1-4H3;1H3;3*1H
InChIKeyFVLCDLPJNNIYMC-UHFFFAOYSA-N
MW1437.65 g/mol
LogP13.69
Rot. Bonds19

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

azane;5-[6-[5-[4-[(tert-butylamino)methyl]-2-methylphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;5-(methylaminomethyl)-2-[5-[3-methyl-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]benzonitrile;molecular hydrogen (PubChem CID 159590429) has the molecular formula C75H87F3N20O7 and a molecular weight of 1437.65 g/mol. Its IUPAC name is azane;5-[6-[5-[4-[(tert-butylamino)methyl]-2-methylphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;5-(methylaminomethyl)-2-[5-[3-methyl-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]benzonitrile;molecular hydrogen.

Molecular Properties

Compound Nameazane;5-[6-[5-[4-[(tert-butylamino)methyl]-2-methylphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;5-(methylaminomethyl)-2-[5-[3-methyl-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]benzonitrile;molecular hydrogen
PubChem CID159590429
Molecular FormulaC75H87F3N20O7
Molecular Weight1437.65 g/mol
Exact Mass1436.70
IUPAC Nameazane;5-[6-[5-[4-[(tert-butylamino)methyl]-2-methylphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;5-(methylaminomethyl)-2-[5-[3-methyl-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]benzonitrile;molecular hydrogen
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C(F)(F)F)c4)cnc3C)o2)c(OC)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4)cnc3C)o2)c(C#N)c1.Cc1cc(CNC(C)(C)C)ccc1-c1nnc(-c2nc(-c3ccc(=O)n(C(C)C)c3)cnc2C)o1.N.[H][H].[H][H].[H][H]
InChIInChI=1S/C27H32N6O2.C24H23F3N6O3.C24H23N7O2.H3N.3H2/c1-16(2)33-15-20(9-11-23(33)34)22-14-28-18(4)24(30-22)26-32-31-25(35-26)21-10-8-19(12-17(21)3)13-29-27(5,6)7;1-13-21(23-32-31-22(36-23)17-7-5-15(10-28-3)9-19(17)35-4)30-18(11-29-13)16-6-8-20(34)33(12-16)14(2)24(25,26)27;1-14(2)31-13-17(6-8-21(31)32)20-12-27-15(3)22(28-20)24-30-29-23(33-24)19-7-5-16(11-26-4)9-18(19)10-25;;;;/h8-12,14-16,29H,13H2,1-7H3;5-9,11-12,14,28H,10H2,1-4H3;5-9,12-14,26H,11H2,1-4H3;1H3;3*1H
InChIKeyFVLCDLPJNNIYMC-UHFFFAOYSA-N
XLogP13.69
TPSA364.21 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001437.65
LogP ≤ 513.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

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

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Related Compounds

5-[6-[5-[2-Methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one
CID 58070346
5-[6-[5-[2-Methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 58070484
5-[6-[5-[2-Methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 68054221
5-[6-[5-[2-Methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one
CID 68054235
2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;tert-butyl N-[2-[2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]carbamate;2-[6-[2-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 157380276
5-[6-[5-[2-Methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen
CID 158782400
5-[6-[5-[2-Methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen
CID 160160644
5-[6-[3-[2-Fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen
CID 161388713
5-[6-[5-[2-Methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;molecular hydrogen
CID 162206529
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
CID 58070336
2-[5-[6-[5-[2-Methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile
CID 58070347
5-[6-[5-[2-Methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one
CID 58070373

Frequently Asked Questions

What is the IUPAC name of azane;5-[6-[5-[4-[(tert-butylamino)methyl]-2-methylphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;5-(methylaminomethyl)-2-[5-[3-methyl-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]benzonitrile;molecular hydrogen?
The IUPAC name of azane;5-[6-[5-[4-[(tert-butylamino)methyl]-2-methylphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;5-(methylaminomethyl)-2-[5-[3-methyl-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]benzonitrile;molecular hydrogen (CID 159590429) is azane;5-[6-[5-[4-[(tert-butylamino)methyl]-2-methylphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;5-(methylaminomethyl)-2-[5-[3-methyl-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]benzonitrile;molecular hydrogen.
What is the SMILES notation for azane;5-[6-[5-[4-[(tert-butylamino)methyl]-2-methylphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;5-(methylaminomethyl)-2-[5-[3-methyl-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]benzonitrile;molecular hydrogen?
The canonical SMILES for azane;5-[6-[5-[4-[(tert-butylamino)methyl]-2-methylphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;5-(methylaminomethyl)-2-[5-[3-methyl-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]benzonitrile;molecular hydrogen is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C(F)(F)F)c4)cnc3C)o2)c(OC)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4)cnc3C)o2)c(C#N)c1.Cc1cc(CNC(C)(C)C)ccc1-c1nnc(-c2nc(-c3ccc(=O)n(C(C)C)c3)cnc2C)o1.N.[H][H].[H][H].[H][H].
What is the InChIKey of azane;5-[6-[5-[4-[(tert-butylamino)methyl]-2-methylphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;5-(methylaminomethyl)-2-[5-[3-methyl-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]benzonitrile;molecular hydrogen?
The InChIKey is FVLCDLPJNNIYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2.C24H23F3N6O3.C24H23N7O2.H3N.3H2/c1-16(2)33-15-20(9-11-23(33)34)22-14-28-18(4)24(30-22)26-32-31-25(35-26)21-10-8-19(12-17(21)3)13-29-27(5,6)7;1-13-21(23-32-31-22(36-23)17-7-5-15(10-28-3)9-19(17)35-4)30-18(11-29-13)16-6-8-20(34)33(12-16)14(2)24(25,26)27;1-14(2)31-13-17(6-8-21(31)32)20-12-27-15(3)22(28-20)24-30-29-23(33-24)19-7-5-16(11-26-4)9-18(19)10-25;;;;/h8-12,14-16,29H,13H2,1-7H3;5-9,11-12,14,28H,10H2,1-4H3;5-9,12-14,26H,11H2,1-4H3;1H3;3*1H.
What are the key properties of azane;5-[6-[5-[4-[(tert-butylamino)methyl]-2-methylphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;5-(methylaminomethyl)-2-[5-[3-methyl-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]benzonitrile;molecular hydrogen?
azane;5-[6-[5-[4-[(tert-butylamino)methyl]-2-methylphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;5-(methylaminomethyl)-2-[5-[3-methyl-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]benzonitrile;molecular hydrogen has a molecular weight of 1437.65 g/mol, XLogP of 13.69, 19 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-[6-[5-[4-[(tert-butylamino)methyl]-2-methylphenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;5-(methylaminomethyl)-2-[5-[3-methyl-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]benzonitrile;molecular hydrogen is sourced from PubChem (CID 159590429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).