1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(1-methoxypropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen

C75H85N19O7 — CID 158567079

IUPAC1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(1-methoxypropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C#N)c4)cnc3C)o2)c(C)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C5CC5)c4)cnc3C)o2)c(C)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)COC)c4)cnc3C)o2)c(C)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C26H28N6O2.C25H28N6O3.C24H23N7O2.3H2/c1-15-11-18(12-27-4)5-9-21(15)25-30-31-26(34-25)24-16(2)28-13-22(29-24)20-8-10-23(33)32(14-20)17(3)19-6-7-19;1-15-10-18(11-26-4)6-8-20(15)24-29-30-25(34-24)23-17(3)27-12-21(28-23)19-7-9-22(32)31(13-19)16(2)14-33-5;1-14-9-17(11-26-4)5-7-19(14)23-29-30-24(33-23)22-16(3)27-12-20(28-22)18-6-8-21(32)31(13-18)15(2)10-25;;;/h5,8-11,13-14,17,19,27H,6-7,12H2,1-4H3;6-10,12-13,16,26H,11,14H2,1-5H3;5-9,12-13,15,26H,11H2,1-4H3;3*1H
InChIKeyHRPPPHJNAOXLIP-UHFFFAOYSA-N
MW1364.63 g/mol
LogP12.08
Rot. Bonds21

About 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(1-methoxypropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen

1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(1-methoxypropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen (PubChem CID 158567079) has the molecular formula C75H85N19O7 and a molecular weight of 1364.63 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(1-methoxypropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(1-methoxypropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen
PubChem CID158567079
Molecular FormulaC75H85N19O7
Molecular Weight1364.63 g/mol
Exact Mass1363.69
IUPAC Name1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(1-methoxypropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C#N)c4)cnc3C)o2)c(C)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C5CC5)c4)cnc3C)o2)c(C)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)COC)c4)cnc3C)o2)c(C)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C26H28N6O2.C25H28N6O3.C24H23N7O2.3H2/c1-15-11-18(12-27-4)5-9-21(15)25-30-31-26(34-25)24-16(2)28-13-22(29-24)20-8-10-23(33)32(14-20)17(3)19-6-7-19;1-15-10-18(11-26-4)6-8-20(15)24-29-30-25(34-24)23-17(3)27-12-21(28-23)19-7-9-22(32)31(13-19)16(2)14-33-5;1-14-9-17(11-26-4)5-7-19(14)23-29-30-24(33-23)22-16(3)27-12-20(28-22)18-6-8-21(32)31(13-18)15(2)10-25;;;/h5,8-11,13-14,17,19,27H,6-7,12H2,1-4H3;6-10,12-13,16,26H,11,14H2,1-5H3;5-9,12-13,15,26H,11H2,1-4H3;3*1H
InChIKeyHRPPPHJNAOXLIP-UHFFFAOYSA-N
XLogP12.08
TPSA329.21 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001364.63
LogP ≤ 512.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(1-methoxypropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen with MolForge

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Related Compounds

2-[5-[5-Amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile
CID 54675127
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
CID 58070268
1-(1-Fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one
CID 58070407
5-[6-[5-[2-Methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 68054216
1-(1-Fluoropropan-2-yl)-5-[6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one
CID 68054222
2-[4-[6-[5-[2-Fluoro-4-[(oxan-4-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile
CID 89503433
[4-(Dimethylamino)piperidin-1-yl]-[4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]methanone
CID 117837693
N-[4-[4-amino-4-[5-[3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-2-methylbutyl]-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-2-fluorobenzamide
CID 142440304
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 157296190
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;molecular hydrogen
CID 159105143
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
[4-(Dimethylamino)piperidin-1-yl]-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]methanone;molecular hydrogen
CID 159955104

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(1-methoxypropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen?
The IUPAC name of 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(1-methoxypropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen (CID 158567079) is 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(1-methoxypropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen.
What is the SMILES notation for 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(1-methoxypropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen?
The canonical SMILES for 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(1-methoxypropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C#N)c4)cnc3C)o2)c(C)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C5CC5)c4)cnc3C)o2)c(C)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)COC)c4)cnc3C)o2)c(C)c1.[H][H].[H][H].[H][H].
What is the InChIKey of 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(1-methoxypropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen?
The InChIKey is HRPPPHJNAOXLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2.C25H28N6O3.C24H23N7O2.3H2/c1-15-11-18(12-27-4)5-9-21(15)25-30-31-26(34-25)24-16(2)28-13-22(29-24)20-8-10-23(33)32(14-20)17(3)19-6-7-19;1-15-10-18(11-26-4)6-8-20(15)24-29-30-25(34-24)23-17(3)27-12-21(28-23)19-7-9-22(32)31(13-19)16(2)14-33-5;1-14-9-17(11-26-4)5-7-19(14)23-29-30-24(33-23)22-16(3)27-12-20(28-22)18-6-8-21(32)31(13-18)15(2)10-25;;;/h5,8-11,13-14,17,19,27H,6-7,12H2,1-4H3;6-10,12-13,16,26H,11,14H2,1-5H3;5-9,12-13,15,26H,11H2,1-4H3;3*1H.
What are the key properties of 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(1-methoxypropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen?
1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(1-methoxypropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen has a molecular weight of 1364.63 g/mol, XLogP of 12.08, 21 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;1-(1-methoxypropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one;2-[5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen is sourced from PubChem (CID 158567079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).